3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide

C24H27ClN2O3 — CID 42462767

IUPAC3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cc1
InChIInChI=1S/C24H27ClN2O3/c1-17(28)19-9-11-20(12-10-19)24(30)27-14-4-5-18(16-27)8-13-23(29)26-15-21-6-2-3-7-22(21)25/h2-3,6-7,9-12,18H,4-5,8,13-16H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyIICFNEFSJCJXOC-SFHVURJKSA-N
MW426.94 g/mol
LogP4.49
Rot. Bonds7

About 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide

3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 42462767) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID42462767
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cc1
InChIInChI=1S/C24H27ClN2O3/c1-17(28)19-9-11-20(12-10-19)24(30)27-14-4-5-18(16-27)8-13-23(29)26-15-21-6-2-3-7-22(21)25/h2-3,6-7,9-12,18H,4-5,8,13-16H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyIICFNEFSJCJXOC-SFHVURJKSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 42415691
N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide
CID 45236016
N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide
CID 25306946
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide
CID 72910051
3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 45186260
N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
CID 45228946
N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 72937068
N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 72856039
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide (CID 42462767) is 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide is CC(=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cc1.
What is the InChIKey of 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is IICFNEFSJCJXOC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-17(28)19-9-11-20(12-10-19)24(30)27-14-4-5-18(16-27)8-13-23(29)26-15-21-6-2-3-7-22(21)25/h2-3,6-7,9-12,18H,4-5,8,13-16H2,1H3,(H,26,29)/t18-/m0/s1.
What are the key properties of 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide?
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 426.94 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 42462767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).