N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide

C22H33N3O2 — CID 55882707

IUPACN-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H33N3O2/c1-2-7-21(26)25-13-6-10-19(17-25)22(27)23-20-11-14-24(15-12-20)16-18-8-4-3-5-9-18/h3-5,8-9,19-20H,2,6-7,10-17H2,1H3,(H,23,27)
InChIKeyKMCSTGFPWWDVBP-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.81
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide (PubChem CID 55882707) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
PubChem CID55882707
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H33N3O2/c1-2-7-21(26)25-13-6-10-19(17-25)22(27)23-20-11-14-24(15-12-20)16-18-8-4-3-5-9-18/h3-5,8-9,19-20H,2,6-7,10-17H2,1H3,(H,23,27)
InChIKeyKMCSTGFPWWDVBP-UHFFFAOYSA-N
XLogP2.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 42780010
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 47086866
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675880
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide (CID 55882707) is N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide?
The InChIKey is KMCSTGFPWWDVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-7-21(26)25-13-6-10-19(17-25)22(27)23-20-11-14-24(15-12-20)16-18-8-4-3-5-9-18/h3-5,8-9,19-20H,2,6-7,10-17H2,1H3,(H,23,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide is sourced from PubChem (CID 55882707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).