1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119273066

IUPAC1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2.ClH/c17-9-6-15(20)19-10-7-14(8-11-19)16(21)18-12-13-4-2-1-3-5-13;/h1-5,14H,6-12,17H2,(H,18,21);1H
InChIKeyOSIHOFLUQGFBJR-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.31
Rot. Bonds5

About 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride

1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119273066) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
PubChem CID119273066
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2.ClH/c17-9-6-15(20)19-10-7-14(8-11-19)16(21)18-12-13-4-2-1-3-5-13;/h1-5,14H,6-12,17H2,(H,18,21);1H
InChIKeyOSIHOFLUQGFBJR-UHFFFAOYSA-N
XLogP1.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide
CID 135104743
N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide
CID 24516071
N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide
CID 38063702
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119692936
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride (CID 119273066) is 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride is Cl.NCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is OSIHOFLUQGFBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-9-6-15(20)19-10-7-14(8-11-19)16(21)18-12-13-4-2-1-3-5-13;/h1-5,14H,6-12,17H2,(H,18,21);1H.
What are the key properties of 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride?
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119273066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).