4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide

C23H31N3O3 — CID 177314075

IUPAC4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCCC(/C(=N\OC)c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C23H31N3O3/c1-24-22(27)7-5-13-26-12-4-6-20(16-26)23(25-29-3)19-9-8-18-15-21(28-2)11-10-17(18)14-19/h8-11,14-15,20H,4-7,12-13,16H2,1-3H3,(H,24,27)/b25-23-
InChIKeyABTPAILYVGMHGU-BZZOAKBMSA-N
MW397.52 g/mol
LogP3.44
Rot. Bonds8

About 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide

4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide (PubChem CID 177314075) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide
PubChem CID177314075
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCCC(/C(=N\OC)c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C23H31N3O3/c1-24-22(27)7-5-13-26-12-4-6-20(16-26)23(25-29-3)19-9-8-18-15-21(28-2)11-10-17(18)14-19/h8-11,14-15,20H,4-7,12-13,16H2,1-3H3,(H,24,27)/b25-23-
InChIKeyABTPAILYVGMHGU-BZZOAKBMSA-N
XLogP3.44
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
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
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
[3-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]cyclohexyl]urea
CID 177313885
N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
CID 56919001
N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine
CID 177313970
(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-4-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314128
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
ethane;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314116
1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073354

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide (CID 177314075) is 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide is CNC(=O)CCCN1CCCC(/C(=N\OC)c2ccc3cc(OC)ccc3c2)C1.
What is the InChIKey of 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide?
The InChIKey is ABTPAILYVGMHGU-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-24-22(27)7-5-13-26-12-4-6-20(16-26)23(25-29-3)19-9-8-18-15-21(28-2)11-10-17(18)14-19/h8-11,14-15,20H,4-7,12-13,16H2,1-3H3,(H,24,27)/b25-23-.
What are the key properties of 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide?
4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide has a molecular weight of 397.52 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]-N-methylbutanamide is sourced from PubChem (CID 177314075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).