N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide

C14H19N3O2 — CID 166176480

IUPACN-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
SMILESN[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C14H19N3O2/c15-12-7-4-8-17(10-12)13(18)9-16-14(19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,15H2,(H,16,19)/t12-/m0/s1
InChIKeyAFOWQFQNSSFXMK-LBPRGKRZSA-N
MW261.32 g/mol
LogP0.37
Rot. Bonds3

About N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 166176480) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID166176480
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
SMILESN[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C14H19N3O2/c15-12-7-4-8-17(10-12)13(18)9-16-14(19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,15H2,(H,16,19)/t12-/m0/s1
InChIKeyAFOWQFQNSSFXMK-LBPRGKRZSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide
CID 119380849
methyl 2-[1-[(3S)-1-(2-benzamidoacetyl)piperidine-3-carbonyl]piperidin-4-yl]acetate
CID 95860362
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126439207
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide (CID 166176480) is N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide is N[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is AFOWQFQNSSFXMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-12-7-4-8-17(10-12)13(18)9-16-14(19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,15H2,(H,16,19)/t12-/m0/s1.
What are the key properties of N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 166176480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).