2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide

C22H32N2O2 — CID 109140121

IUPAC2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H32N2O2/c1-3-4-12-23(2)21(25)19-16-20(19)22(26)24-13-10-18(11-14-24)15-17-8-6-5-7-9-17/h5-9,18-20H,3-4,10-16H2,1-2H3
InChIKeyQSLOIAKAYFWSKJ-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.36
Rot. Bonds7

About 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide

2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide (PubChem CID 109140121) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
PubChem CID109140121
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H32N2O2/c1-3-4-12-23(2)21(25)19-16-20(19)22(26)24-13-10-18(11-14-24)15-17-8-6-5-7-9-17/h5-9,18-20H,3-4,10-16H2,1-2H3
InChIKeyQSLOIAKAYFWSKJ-UHFFFAOYSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131814
N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
CID 109139074
N-benzyl-2-(4-ethylpiperazine-1-carbonyl)-N-methylcyclopropane-1-carboxamide
CID 109134323
N-benzyl-N-methyl-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132195
1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139811
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
CID 113115792
cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 126808966
N-butyl-N-methyl-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140123
5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240243
2-(4-benzylpiperidine-1-carbonyl)-N-cycloheptylcyclopropane-1-carboxamide
CID 109139698

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide (CID 109140121) is 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide is CCCCN(C)C(=O)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide?
The InChIKey is QSLOIAKAYFWSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-4-12-23(2)21(25)19-16-20(19)22(26)24-13-10-18(11-14-24)15-17-8-6-5-7-9-17/h5-9,18-20H,3-4,10-16H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide?
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 109140121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).