(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide

C28H32N2O4 — CID 31564420

IUPAC(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1
InChIInChI=1S/C28H32N2O4/c1-19-11-13-25(33-3)21(16-19)17-29(2)27(31)20-8-7-15-30(18-20)28(32)24-12-14-26(34-4)23-10-6-5-9-22(23)24/h5-6,9-14,16,20H,7-8,15,17-18H2,1-4H3/t20-/m1/s1
InChIKeyVUGPKIZZXTZCEQ-HXUWFJFHSA-N
MW460.57 g/mol
LogP4.68
Rot. Bonds6

About (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide

(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide (PubChem CID 31564420) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide
PubChem CID31564420
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1
InChIInChI=1S/C28H32N2O4/c1-19-11-13-25(33-3)21(16-19)17-29(2)27(31)20-8-7-15-30(18-20)28(32)24-12-14-26(34-4)23-10-6-5-9-22(23)24/h5-6,9-14,16,20H,7-8,15,17-18H2,1-4H3/t20-/m1/s1
InChIKeyVUGPKIZZXTZCEQ-HXUWFJFHSA-N
XLogP4.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 55623634
N-(3,5-difluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 42923438
(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9084986
N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355215
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
N-(3-fluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355150
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55625221
(3S)-N-[(2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 125047791
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053277

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide (CID 31564420) is (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide is COc1ccc(C)cc1CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1.
What is the InChIKey of (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is VUGPKIZZXTZCEQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-19-11-13-25(33-3)21(16-19)17-29(2)27(31)20-8-7-15-30(18-20)28(32)24-12-14-26(34-4)23-10-6-5-9-22(23)24/h5-6,9-14,16,20H,7-8,15,17-18H2,1-4H3/t20-/m1/s1.
What are the key properties of (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide?
(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 31564420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).