4-[(3-aminopiperidin-1-yl)methyl]benzamide

C13H19N3O — CID 61295537

IUPAC4-[(3-aminopiperidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCC(N)C2)cc1
InChIInChI=1S/C13H19N3O/c14-12-2-1-7-16(9-12)8-10-3-5-11(6-4-10)13(15)17/h3-6,12H,1-2,7-9,14H2,(H2,15,17)
InChIKeyNSNMCTKMRYJEGR-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.71
Rot. Bonds3

About 4-[(3-aminopiperidin-1-yl)methyl]benzamide

4-[(3-aminopiperidin-1-yl)methyl]benzamide (PubChem CID 61295537) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(3-aminopiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-aminopiperidin-1-yl)methyl]benzamide
PubChem CID61295537
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[(3-aminopiperidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCC(N)C2)cc1
InChIInChI=1S/C13H19N3O/c14-12-2-1-7-16(9-12)8-10-3-5-11(6-4-10)13(15)17/h3-6,12H,1-2,7-9,14H2,(H2,15,17)
InChIKeyNSNMCTKMRYJEGR-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
CID 95299028
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
CID 102985021
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
1-[(4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910124
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
CID 24904949
(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 167713987
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 62036122
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 97198380
[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 124594256

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopiperidin-1-yl)methyl]benzamide?
The IUPAC name of 4-[(3-aminopiperidin-1-yl)methyl]benzamide (CID 61295537) is 4-[(3-aminopiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3-aminopiperidin-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(3-aminopiperidin-1-yl)methyl]benzamide is NC(=O)c1ccc(CN2CCCC(N)C2)cc1.
What is the InChIKey of 4-[(3-aminopiperidin-1-yl)methyl]benzamide?
The InChIKey is NSNMCTKMRYJEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12-2-1-7-16(9-12)8-10-3-5-11(6-4-10)13(15)17/h3-6,12H,1-2,7-9,14H2,(H2,15,17).
What are the key properties of 4-[(3-aminopiperidin-1-yl)methyl]benzamide?
4-[(3-aminopiperidin-1-yl)methyl]benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 61295537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).