N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide

C23H29N3O4 — CID 110194272

IUPACN-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN2CCCCC2C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-16(27)24-18-8-10-19(11-9-18)25-23(28)20-6-4-5-13-26(20)15-17-7-12-21(29-2)22(14-17)30-3/h7-12,14,20H,4-6,13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXCKUMJAUFIKHNQ-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.66
Rot. Bonds7

About N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide

N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide (PubChem CID 110194272) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
PubChem CID110194272
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN2CCCCC2C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C23H29N3O4/c1-16(27)24-18-8-10-19(11-9-18)25-23(28)20-6-4-5-13-26(20)15-17-7-12-21(29-2)22(14-17)30-3/h7-12,14,20H,4-6,13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXCKUMJAUFIKHNQ-UHFFFAOYSA-N
XLogP3.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide
CID 110173562
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide;hydrate
CID 110194273
(2S)-1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 1119532
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 110194147
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472
1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide
CID 131910005
1-[(3-methoxy-4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040395
benzyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 13154144
5-[(2-acetylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65340072

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide (CID 110194272) is N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide is COc1ccc(CN2CCCCC2C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is XCKUMJAUFIKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(27)24-18-8-10-19(11-9-18)25-23(28)20-6-4-5-13-26(20)15-17-7-12-21(29-2)22(14-17)30-3/h7-12,14,20H,4-6,13,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide?
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 110194272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).