N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride

C19H36ClN3O2 — CID 119762851

IUPACN-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCCN(C(=O)CC(C)C2CCCNC2)C1.Cl
InChIInChI=1S/C19H35N3O2.ClH/c1-3-4-10-21-19(24)17-8-6-11-22(14-17)18(23)12-15(2)16-7-5-9-20-13-16;/h15-17,20H,3-14H2,1-2H3,(H,21,24);1H
InChIKeySSPSROQLHTTZAY-UHFFFAOYSA-N
MW373.97 g/mol
LogP2.59
Rot. Bonds7

About N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride

N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119762851) has the molecular formula C19H36ClN3O2 and a molecular weight of 373.97 g/mol. Its IUPAC name is N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119762851
Molecular FormulaC19H36ClN3O2
Molecular Weight373.97 g/mol
Exact Mass373.25
IUPAC NameN-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCCN(C(=O)CC(C)C2CCCNC2)C1.Cl
InChIInChI=1S/C19H35N3O2.ClH/c1-3-4-10-21-19(24)17-8-6-11-22(14-17)18(23)12-15(2)16-7-5-9-20-13-16;/h15-17,20H,3-14H2,1-2H3,(H,21,24);1H
InChIKeySSPSROQLHTTZAY-UHFFFAOYSA-N
XLogP2.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.97
LogP ≤ 52.59
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

N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119744465
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide
CID 119761643
3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119894711
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119856489
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
N-methyl-1-(3-piperidin-4-ylbutanoyl)piperidine-3-carboxamide
CID 119783440
N-butyl-N-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
CID 119738391
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride (CID 119762851) is N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride is CCCCNC(=O)C1CCCN(C(=O)CC(C)C2CCCNC2)C1.Cl.
What is the InChIKey of N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is SSPSROQLHTTZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2.ClH/c1-3-4-10-21-19(24)17-8-6-11-22(14-17)18(23)12-15(2)16-7-5-9-20-13-16;/h15-17,20H,3-14H2,1-2H3,(H,21,24);1H.
What are the key properties of N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride?
N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119762851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).