1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride

C17H32ClN3O2 — CID 119555253

IUPAC1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCCC1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-2-6-16(21)20-12-4-3-8-15(20)17(22)19-11-9-14-7-5-10-18-13-14;/h14-15,18H,2-13H2,1H3,(H,19,22);1H
InChIKeyZGSQSFHXSDWHIK-UHFFFAOYSA-N
MW345.92 g/mol
LogP2.10
Rot. Bonds6

About 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride

1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119555253) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119555253
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC Name1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCCC1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-2-6-16(21)20-12-4-3-8-15(20)17(22)19-11-9-14-7-5-10-18-13-14;/h14-15,18H,2-13H2,1H3,(H,19,22);1H
InChIKeyZGSQSFHXSDWHIK-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119555252
1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119533681
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 120945107
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 120555744
3-(cyclopentanecarbonyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119556578
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride (CID 119555253) is 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride is CCCC(=O)N1CCCCC1C(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZGSQSFHXSDWHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-2-6-16(21)20-12-4-3-8-15(20)17(22)19-11-9-14-7-5-10-18-13-14;/h14-15,18H,2-13H2,1H3,(H,19,22);1H.
What are the key properties of 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride?
1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119555253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).