N-butyl-3-piperidin-3-ylbutanamide;hydrochloride

C13H27ClN2O — CID 119671850

IUPACN-butyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCCCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-3-4-8-15-13(16)9-11(2)12-6-5-7-14-10-12;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyKUTMIMDMUGCNAH-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.35
Rot. Bonds6

About N-butyl-3-piperidin-3-ylbutanamide;hydrochloride

N-butyl-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119671850) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is N-butyl-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119671850
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC NameN-butyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCCCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-3-4-8-15-13(16)9-11(2)12-6-5-7-14-10-12;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyKUTMIMDMUGCNAH-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
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-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723723
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-butyl-3-piperidin-3-ylbutanamide;hydrochloride (CID 119671850) is N-butyl-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-butyl-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-butyl-3-piperidin-3-ylbutanamide;hydrochloride is CCCCNC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-butyl-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is KUTMIMDMUGCNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-3-4-8-15-13(16)9-11(2)12-6-5-7-14-10-12;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-butyl-3-piperidin-3-ylbutanamide;hydrochloride?
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119671850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).