N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride

C16H30ClN3O2 — CID 119671581

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCN1CCCC1=O)C1CCCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-13(14-5-2-7-17-12-14)11-15(20)18-8-4-10-19-9-3-6-16(19)21;/h13-14,17H,2-12H2,1H3,(H,18,20);1H
InChIKeyPQWWLTCQGKHNQP-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.56
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119671581) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119671581
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCN1CCCC1=O)C1CCCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-13(14-5-2-7-17-12-14)11-15(20)18-8-4-10-19-9-3-6-16(19)21;/h13-14,17H,2-12H2,1H3,(H,18,20);1H
InChIKeyPQWWLTCQGKHNQP-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119851194
N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119779510
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119851195
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119671581) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCCCN1CCCC1=O)C1CCCNC1.Cl.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is PQWWLTCQGKHNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-13(14-5-2-7-17-12-14)11-15(20)18-8-4-10-19-9-3-6-16(19)21;/h13-14,17H,2-12H2,1H3,(H,18,20);1H.
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119671581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).