(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine

C57H67N5O5 — CID 177313974

IUPAC(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine
SMILESCOc1ccc(CO/N=C(/c2ccc3cc(OC)ccc3c2)C2CCCN(C3CCCC3)C2)cc1.COc1ccc2cc(/C(=N/Oc3ccccn3)C3CCCN(C4CCCC4)C3)ccc2c1
InChIInChI=1S/C30H36N2O3.C27H31N3O2/c1-33-28-14-9-22(10-15-28)21-35-31-30(26-6-5-17-32(20-26)27-7-3-4-8-27)25-12-11-24-19-29(34-2)16-13-23(24)18-25;1-31-25-14-13-20-17-22(12-11-21(20)18-25)27(29-32-26-10-4-5-15-28-26)23-7-6-16-30(19-23)24-8-2-3-9-24/h9-16,18-19,26-27H,3-8,17,20-21H2,1-2H3;4-5,10-15,17-18,23-24H,2-3,6-9,16,19H2,1H3/b31-30-;29-27-
InChIKeyOTUBGTFDURGFRA-OITQQSLLSA-N
MW902.19 g/mol
LogP12.11
Rot. Bonds14

About (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine

(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine (PubChem CID 177313974) has the molecular formula C57H67N5O5 and a molecular weight of 902.19 g/mol. Its IUPAC name is (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine.

Molecular Properties

Compound Name(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine
PubChem CID177313974
Molecular FormulaC57H67N5O5
Molecular Weight902.19 g/mol
Exact Mass901.51
IUPAC Name(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine
SMILESCOc1ccc(CO/N=C(/c2ccc3cc(OC)ccc3c2)C2CCCN(C3CCCC3)C2)cc1.COc1ccc2cc(/C(=N/Oc3ccccn3)C3CCCN(C4CCCC4)C3)ccc2c1
InChIInChI=1S/C30H36N2O3.C27H31N3O2/c1-33-28-14-9-22(10-15-28)21-35-31-30(26-6-5-17-32(20-26)27-7-3-4-8-27)25-12-11-24-19-29(34-2)16-13-23(24)18-25;1-31-25-14-13-20-17-22(12-11-21(20)18-25)27(29-32-26-10-4-5-15-28-26)23-7-6-16-30(19-23)24-8-2-3-9-24/h9-16,18-19,26-27H,3-8,17,20-21H2,1-2H3;4-5,10-15,17-18,23-24H,2-3,6-9,16,19H2,1H3/b31-30-;29-27-
InChIKeyOTUBGTFDURGFRA-OITQQSLLSA-N
XLogP12.11
TPSA90.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.19
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
ethane;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314116
(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-4-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314128
[3-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]cyclohexyl]urea
CID 177313885
(E)-1-[1-(4-ethoxycyclohexyl)piperidin-3-yl]-N-(methoxymethyl)-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177314104
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide
CID 177314075
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
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine
CID 177313888
(E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 42532181
4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol
CID 177314051

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine?
The IUPAC name of (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine (CID 177313974) is (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine.
What is the SMILES notation for (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine?
The canonical SMILES for (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine is COc1ccc(CO/N=C(/c2ccc3cc(OC)ccc3c2)C2CCCN(C3CCCC3)C2)cc1.COc1ccc2cc(/C(=N/Oc3ccccn3)C3CCCN(C4CCCC4)C3)ccc2c1.
What is the InChIKey of (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine?
The InChIKey is OTUBGTFDURGFRA-OITQQSLLSA-N. The full InChI is InChI=1S/C30H36N2O3.C27H31N3O2/c1-33-28-14-9-22(10-15-28)21-35-31-30(26-6-5-17-32(20-26)27-7-3-4-8-27)25-12-11-24-19-29(34-2)16-13-23(24)18-25;1-31-25-14-13-20-17-22(12-11-21(20)18-25)27(29-32-26-10-4-5-15-28-26)23-7-6-16-30(19-23)24-8-2-3-9-24/h9-16,18-19,26-27H,3-8,17,20-21H2,1-2H3;4-5,10-15,17-18,23-24H,2-3,6-9,16,19H2,1H3/b31-30-;29-27-.
What are the key properties of (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine?
(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine has a molecular weight of 902.19 g/mol, XLogP of 12.11, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-[(4-methoxyphenyl)methoxy]methanimine;(E)-1-(1-cyclopentylpiperidin-3-yl)-1-(6-methoxynaphthalen-2-yl)-N-pyridin-2-yloxymethanimine is sourced from PubChem (CID 177313974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).