3-amino-1-benzylpiperidine-3-carboxamide

C13H19N3O — CID 60795458

IUPAC3-amino-1-benzylpiperidine-3-carboxamide
SMILESNC(=O)C1(N)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N3O/c14-12(17)13(15)7-4-8-16(10-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2,(H2,14,17)
InChIKeyYYPNAVMGDFZQPN-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.47
Rot. Bonds3

About 3-amino-1-benzylpiperidine-3-carboxamide

3-amino-1-benzylpiperidine-3-carboxamide (PubChem CID 60795458) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-1-benzylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-amino-1-benzylpiperidine-3-carboxamide
PubChem CID60795458
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-1-benzylpiperidine-3-carboxamide
SMILESNC(=O)C1(N)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N3O/c14-12(17)13(15)7-4-8-16(10-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2,(H2,14,17)
InChIKeyYYPNAVMGDFZQPN-UHFFFAOYSA-N
XLogP0.47
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365
2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide
CID 130407618
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119399364
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
2-[4-[[(3R)-3-carbamoyl-3-methylpiperidin-1-yl]methyl]phenyl]benzoic acid
CID 125014660
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzylpiperidine-3-carboxamide?
The IUPAC name of 3-amino-1-benzylpiperidine-3-carboxamide (CID 60795458) is 3-amino-1-benzylpiperidine-3-carboxamide.
What is the SMILES notation for 3-amino-1-benzylpiperidine-3-carboxamide?
The canonical SMILES for 3-amino-1-benzylpiperidine-3-carboxamide is NC(=O)C1(N)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-amino-1-benzylpiperidine-3-carboxamide?
The InChIKey is YYPNAVMGDFZQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12(17)13(15)7-4-8-16(10-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2,(H2,14,17).
What are the key properties of 3-amino-1-benzylpiperidine-3-carboxamide?
3-amino-1-benzylpiperidine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzylpiperidine-3-carboxamide is sourced from PubChem (CID 60795458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).