(3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide

C16H22Cl2N2O2 — CID 97238094

IUPAC(3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@@H](O)[C@@H]1CCCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C16H22Cl2N2O2/c1-11(21)13-3-2-6-20(10-13)16(22)19-5-4-12-7-14(17)9-15(18)8-12/h7-9,11,13,21H,2-6,10H2,1H3,(H,19,22)/t11-,13-/m1/s1
InChIKeyUTSNKMMUTCGCLG-DGCLKSJQSA-N
MW345.27 g/mol
LogP3.34
Rot. Bonds4

About (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide

(3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 97238094) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID97238094
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name(3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@@H](O)[C@@H]1CCCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C16H22Cl2N2O2/c1-11(21)13-3-2-6-20(10-13)16(22)19-5-4-12-7-14(17)9-15(18)8-12/h7-9,11,13,21H,2-6,10H2,1H3,(H,19,22)/t11-,13-/m1/s1
InChIKeyUTSNKMMUTCGCLG-DGCLKSJQSA-N
XLogP3.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 75386473
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 97238091
(2S)-1-N-[2-(3,5-dichlorophenyl)ethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97241938
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
CID 154904649
(3S)-3-[(1S)-1-hydroxyethyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide
CID 97238079
2-[1-[2-(4-chlorophenyl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682965
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95160101
(3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 98852154
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788748
(3S)-3-[(1S)-1-hydroxyethyl]-N-(5-methylhexyl)pyrrolidine-1-carboxamide
CID 97351621

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide (CID 97238094) is (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide is C[C@@H](O)[C@@H]1CCCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is UTSNKMMUTCGCLG-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-11(21)13-3-2-6-20(10-13)16(22)19-5-4-12-7-14(17)9-15(18)8-12/h7-9,11,13,21H,2-6,10H2,1H3,(H,19,22)/t11-,13-/m1/s1.
What are the key properties of (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide?
(3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 345.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97238094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).