3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide

C15H19ClN2O2 — CID 100713492

IUPAC3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide
SMILESC[C@H]1CCNC(=O)[C@H]1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-10-7-8-17-15(20)14(10)18-13(19)6-5-11-3-2-4-12(16)9-11/h2-4,9-10,14H,5-8H2,1H3,(H,17,20)(H,18,19)/t10-,14-/m0/s1
InChIKeyKIYZYHIHGCLFRT-HZMBPMFUSA-N
MW294.78 g/mol
LogP1.91
Rot. Bonds4

About 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide

3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide (PubChem CID 100713492) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide
PubChem CID100713492
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide
SMILESC[C@H]1CCNC(=O)[C@H]1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-10-7-8-17-15(20)14(10)18-13(19)6-5-11-3-2-4-12(16)9-11/h2-4,9-10,14H,5-8H2,1H3,(H,17,20)(H,18,19)/t10-,14-/m0/s1
InChIKeyKIYZYHIHGCLFRT-HZMBPMFUSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide (CID 100713492) is 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide is C[C@H]1CCNC(=O)[C@H]1NC(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide?
The InChIKey is KIYZYHIHGCLFRT-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-7-8-17-15(20)14(10)18-13(19)6-5-11-3-2-4-12(16)9-11/h2-4,9-10,14H,5-8H2,1H3,(H,17,20)(H,18,19)/t10-,14-/m0/s1.
What are the key properties of 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide?
3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide has a molecular weight of 294.78 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 100713492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).