3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride

C21H40ClN3O — CID 119682326

IUPAC3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCC1(N2CCCCC2)CCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C21H39N3O.ClH/c1-18(19-8-12-22-13-9-19)16-20(25)23-17-21(10-4-2-5-11-21)24-14-6-3-7-15-24;/h18-19,22H,2-17H2,1H3,(H,23,25);1H
InChIKeyNNRRQLCJJCZLGZ-UHFFFAOYSA-N
MW386.02 g/mol
LogP3.74
Rot. Bonds6

About 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride

3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride (PubChem CID 119682326) has the molecular formula C21H40ClN3O and a molecular weight of 386.02 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride
PubChem CID119682326
Molecular FormulaC21H40ClN3O
Molecular Weight386.02 g/mol
Exact Mass385.29
IUPAC Name3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCC1(N2CCCCC2)CCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C21H39N3O.ClH/c1-18(19-8-12-22-13-9-19)16-20(25)23-17-21(10-4-2-5-11-21)24-14-6-3-7-15-24;/h18-19,22H,2-17H2,1H3,(H,23,25);1H
InChIKeyNNRRQLCJJCZLGZ-UHFFFAOYSA-N
XLogP3.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.02
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119862801
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119782244
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119820386
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide
CID 119812192
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 63006010
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682315
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684
N-(2,2-dimethylcyclopentyl)-3-piperidin-4-ylbutanamide
CID 119790559

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride (CID 119682326) is 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride is CC(CC(=O)NCC1(N2CCCCC2)CCCCC1)C1CCNCC1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride?
The InChIKey is NNRRQLCJJCZLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O.ClH/c1-18(19-8-12-22-13-9-19)16-20(25)23-17-21(10-4-2-5-11-21)24-14-6-3-7-15-24;/h18-19,22H,2-17H2,1H3,(H,23,25);1H.
What are the key properties of 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride?
3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride has a molecular weight of 386.02 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119682326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).