1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C19H26N2O3 — CID 46571953

IUPAC1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCN(C(C)=O)CC2)C2CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13(22)21-11-9-16(10-12-21)19(23)20-18(14-3-4-14)15-5-7-17(24-2)8-6-15/h5-8,14,16,18H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyFHXZGJWQANEKEX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.52
Rot. Bonds5

About 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46571953) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID46571953
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCN(C(C)=O)CC2)C2CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13(22)21-11-9-16(10-12-21)19(23)20-18(14-3-4-14)15-5-7-17(24-2)8-6-15/h5-8,14,16,18H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyFHXZGJWQANEKEX-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697842
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55460831
9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985157
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119697846
tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24625912
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443595
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51254315

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 46571953) is 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(C(NC(=O)C2CCN(C(C)=O)CC2)C2CC2)cc1.
What is the InChIKey of 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FHXZGJWQANEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(22)21-11-9-16(10-12-21)19(23)20-18(14-3-4-14)15-5-7-17(24-2)8-6-15/h5-8,14,16,18H,3-4,9-12H2,1-2H3,(H,20,23).
What are the key properties of 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46571953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).