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

C21H28N2O3 — CID 31425300

IUPAC1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CCN(C(=O)C3CC3)CC2)C2CC2)cc1
InChIInChI=1S/C21H28N2O3/c1-26-19-8-2-15(3-9-19)14-23(18-6-7-18)21(25)17-10-12-22(13-11-17)20(24)16-4-5-16/h2-3,8-9,16-18H,4-7,10-14H2,1H3
InChIKeyKBISGLVWKVMJCB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.83
Rot. Bonds6

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

1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 31425300) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID31425300
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CCN(C(=O)C3CC3)CC2)C2CC2)cc1
InChIInChI=1S/C21H28N2O3/c1-26-19-8-2-15(3-9-19)14-23(18-6-7-18)21(25)17-10-12-22(13-11-17)20(24)16-4-5-16/h2-3,8-9,16-18H,4-7,10-14H2,1H3
InChIKeyKBISGLVWKVMJCB-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(furan-3-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35734927
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 72865138
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26378756
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 146129180
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 31425300) is 1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CN(C(=O)C2CCN(C(=O)C3CC3)CC2)C2CC2)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KBISGLVWKVMJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-26-19-8-2-15(3-9-19)14-23(18-6-7-18)21(25)17-10-12-22(13-11-17)20(24)16-4-5-16/h2-3,8-9,16-18H,4-7,10-14H2,1H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 31425300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).