ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine

C84H107N7O6 — CID 177314113

IUPACethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine
SMILESCC.CC.CC.CO/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccc(C(N)=O)cc2)C1.CO/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccccc2)C1.[H]/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C27H31N3O3.C26H30N2O2.C25H28N2O.3C2H6/c1-32-25-12-11-21-16-23(10-9-22(21)17-25)26(29-33-2)24-4-3-14-30(18-24)15-13-19-5-7-20(8-6-19)27(28)31;1-29-25-13-12-21-17-23(11-10-22(21)18-25)26(27-30-2)24-9-6-15-28(19-24)16-14-20-7-4-3-5-8-20;1-28-24-12-11-20-16-22(10-9-21(20)17-24)25(26)23-8-5-14-27(18-23)15-13-19-6-3-2-4-7-19;3*1-2/h5-12,16-17,24H,3-4,13-15,18H2,1-2H3,(H2,28,31);3-5,7-8,10-13,17-18,24H,6,9,14-16,19H2,1-2H3;2-4,6-7,9-12,16-17,23,26H,5,8,13-15,18H2,1H3;3*1-2H3/b29-26-;27-26-;26-25-;;;
InChIKeyJMJFVHWQGOKVPW-GUZYFEJFSA-N
MW1310.82 g/mol
LogP17.66
Rot. Bonds21

About ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine

ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine (PubChem CID 177314113) has the molecular formula C84H107N7O6 and a molecular weight of 1310.82 g/mol. Its IUPAC name is ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine.

Molecular Properties

Compound Nameethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine
PubChem CID177314113
Molecular FormulaC84H107N7O6
Molecular Weight1310.82 g/mol
Exact Mass1309.83
IUPAC Nameethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine
SMILESCC.CC.CC.CO/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccc(C(N)=O)cc2)C1.CO/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccccc2)C1.[H]/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C27H31N3O3.C26H30N2O2.C25H28N2O.3C2H6/c1-32-25-12-11-21-16-23(10-9-22(21)17-25)26(29-33-2)24-4-3-14-30(18-24)15-13-19-5-7-20(8-6-19)27(28)31;1-29-25-13-12-21-17-23(11-10-22(21)18-25)26(27-30-2)24-9-6-15-28(19-24)16-14-20-7-4-3-5-8-20;1-28-24-12-11-20-16-22(10-9-21(20)17-24)25(26)23-8-5-14-27(18-23)15-13-19-6-3-2-4-7-19;3*1-2/h5-12,16-17,24H,3-4,13-15,18H2,1-2H3,(H2,28,31);3-5,7-8,10-13,17-18,24H,6,9,14-16,19H2,1-2H3;2-4,6-7,9-12,16-17,23,26H,5,8,13-15,18H2,1H3;3*1-2H3/b29-26-;27-26-;26-25-;;;
InChIKeyJMJFVHWQGOKVPW-GUZYFEJFSA-N
XLogP17.66
TPSA147.53 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001310.82
LogP ≤ 517.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine with MolForge

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Related Compounds

(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine
CID 177314114
4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide
CID 177314075
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 122134394
ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine
CID 177313994
[3-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]cyclohexyl]urea
CID 177313885
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine
CID 177313888

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine?
The IUPAC name of ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine (CID 177314113) is ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine.
What is the SMILES notation for ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine?
The canonical SMILES for ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine is CC.CC.CC.CO/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccc(C(N)=O)cc2)C1.CO/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccccc2)C1.[H]/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine?
The InChIKey is JMJFVHWQGOKVPW-GUZYFEJFSA-N. The full InChI is InChI=1S/C27H31N3O3.C26H30N2O2.C25H28N2O.3C2H6/c1-32-25-12-11-21-16-23(10-9-22(21)17-25)26(29-33-2)24-4-3-14-30(18-24)15-13-19-5-7-20(8-6-19)27(28)31;1-29-25-13-12-21-17-23(11-10-22(21)18-25)26(27-30-2)24-9-6-15-28(19-24)16-14-20-7-4-3-5-8-20;1-28-24-12-11-20-16-22(10-9-21(20)17-24)25(26)23-8-5-14-27(18-23)15-13-19-6-3-2-4-7-19;3*1-2/h5-12,16-17,24H,3-4,13-15,18H2,1-2H3,(H2,28,31);3-5,7-8,10-13,17-18,24H,6,9,14-16,19H2,1-2H3;2-4,6-7,9-12,16-17,23,26H,5,8,13-15,18H2,1H3;3*1-2H3/b29-26-;27-26-;26-25-;;;.
What are the key properties of ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine?
ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine has a molecular weight of 1310.82 g/mol, XLogP of 17.66, 21 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine is sourced from PubChem (CID 177314113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).