N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride

C15H28ClN3O2 — CID 119700669

IUPACN-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(=O)N1CCCC1)C1CCCNC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-12(13-5-4-6-16-10-13)9-14(19)17-11-15(20)18-7-2-3-8-18;/h12-13,16H,2-11H2,1H3,(H,17,19);1H
InChIKeyDUMJBWUNAKTCMP-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.17
Rot. Bonds5

About N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119700669) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119700669
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(=O)N1CCCC1)C1CCCNC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-12(13-5-4-6-16-10-13)9-14(19)17-11-15(20)18-7-2-3-8-18;/h12-13,16H,2-11H2,1H3,(H,17,19);1H
InChIKeyDUMJBWUNAKTCMP-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849539
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
CID 115738676
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790992

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119700669) is N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCC(=O)N1CCCC1)C1CCCNC1.Cl.
What is the InChIKey of N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is DUMJBWUNAKTCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-12(13-5-4-6-16-10-13)9-14(19)17-11-15(20)18-7-2-3-8-18;/h12-13,16H,2-11H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119700669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).