(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide

C14H16Cl2N2O2 — CID 94164959

IUPAC(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-4-3-9(6-12(11)16)7-13(19)18-5-1-2-10(8-18)14(17)20/h3-4,6,10H,1-2,5,7-8H2,(H2,17,20)/t10-/m0/s1
InChIKeyBZQYQZNPKNGYID-JTQLQIEISA-N
MW315.20 g/mol
LogP2.26
Rot. Bonds3

About (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide (PubChem CID 94164959) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
PubChem CID94164959
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-4-3-9(6-12(11)16)7-13(19)18-5-1-2-10(8-18)14(17)20/h3-4,6,10H,1-2,5,7-8H2,(H2,17,20)/t10-/m0/s1
InChIKeyBZQYQZNPKNGYID-JTQLQIEISA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide
CID 18159123
2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 47735745
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 95365649
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 55146937
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172908612
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide (CID 94164959) is (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is BZQYQZNPKNGYID-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-11-4-3-9(6-12(11)16)7-13(19)18-5-1-2-10(8-18)14(17)20/h3-4,6,10H,1-2,5,7-8H2,(H2,17,20)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 94164959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).