N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide

C16H23N3O2 — CID 11300739

IUPACN-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide
SMILESN[C@@H](CCNC(=O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H23N3O2/c17-14(16(21)19-11-5-2-6-12-19)9-10-18-15(20)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12,17H2,(H,18,20)/t14-/m0/s1
InChIKeyDSAHVRCVGFDDJN-AWEZNQCLSA-N
MW289.38 g/mol
LogP1.15
Rot. Bonds5

About N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide

N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide (PubChem CID 11300739) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide.

Molecular Properties

Compound NameN-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide
PubChem CID11300739
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide
SMILESN[C@@H](CCNC(=O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H23N3O2/c17-14(16(21)19-11-5-2-6-12-19)9-10-18-15(20)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12,17H2,(H,18,20)/t14-/m0/s1
InChIKeyDSAHVRCVGFDDJN-AWEZNQCLSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide?
The IUPAC name of N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide (CID 11300739) is N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide.
What is the SMILES notation for N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide?
The canonical SMILES for N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide is N[C@@H](CCNC(=O)c1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide?
The InChIKey is DSAHVRCVGFDDJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14(16(21)19-11-5-2-6-12-19)9-10-18-15(20)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12,17H2,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide?
N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]benzamide is sourced from PubChem (CID 11300739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).