N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride

C20H32ClN3O2 — CID 120648128

IUPACN-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N(CCCN)Cc2ccccc2)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-2-8-19(24)22-13-6-11-18(16-22)20(25)23(14-7-12-21)15-17-9-4-3-5-10-17;/h3-5,9-10,18H,2,6-8,11-16,21H2,1H3;1H
InChIKeyZRXYXOSJOLXYJW-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.82
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120648128) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
PubChem CID120648128
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N(CCCN)Cc2ccccc2)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-2-8-19(24)22-13-6-11-18(16-22)20(25)23(14-7-12-21)15-17-9-4-3-5-10-17;/h3-5,9-10,18H,2,6-8,11-16,21H2,1H3;1H
InChIKeyZRXYXOSJOLXYJW-UHFFFAOYSA-N
XLogP2.82
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055
N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 120648552
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate
CID 55462555
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
CID 120649215
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344215
methyl 3-[benzyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 55513167
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride (CID 120648128) is N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride is CCCC(=O)N1CCCC(C(=O)N(CCCN)Cc2ccccc2)C1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is ZRXYXOSJOLXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-2-8-19(24)22-13-6-11-18(16-22)20(25)23(14-7-12-21)15-17-9-4-3-5-10-17;/h3-5,9-10,18H,2,6-8,11-16,21H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120648128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).