(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide

C15H18Cl2N2O2 — CID 95154870

IUPAC(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-5-3-10(8-13(12)17)4-6-14(20)19-7-1-2-11(9-19)15(18)21/h3,5,8,11H,1-2,4,6-7,9H2,(H2,18,21)/t11-/m0/s1
InChIKeyPJPMIWLDUZGXCL-NSHDSACASA-N
MW329.23 g/mol
LogP2.65
Rot. Bonds4

About (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide

(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide (PubChem CID 95154870) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
PubChem CID95154870
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-5-3-10(8-13(12)17)4-6-14(20)19-7-1-2-11(9-19)15(18)21/h3,5,8,11H,1-2,4,6-7,9H2,(H2,18,21)/t11-/m0/s1
InChIKeyPJPMIWLDUZGXCL-NSHDSACASA-N
XLogP2.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
CID 119379855
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 110416463
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide
CID 18159123
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784829
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperidine-3-carboxylic acid
CID 126786883

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide (CID 95154870) is (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide?
The InChIKey is PJPMIWLDUZGXCL-NSHDSACASA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-12-5-3-10(8-13(12)17)4-6-14(20)19-7-1-2-11(9-19)15(18)21/h3,5,8,11H,1-2,4,6-7,9H2,(H2,18,21)/t11-/m0/s1.
What are the key properties of (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide?
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 95154870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).