(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide

C12H14Cl2N2O2 — CID 40973267

IUPAC(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](O)C1
InChIInChI=1S/C12H14Cl2N2O2/c13-10-4-3-8(6-11(10)14)15-12(18)16-5-1-2-9(17)7-16/h3-4,6,9,17H,1-2,5,7H2,(H,15,18)/t9-/m1/s1
InChIKeyNYDUBXDUDTVNRS-SECBINFHSA-N
MW289.16 g/mol
LogP2.98
Rot. Bonds1

About (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide

(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 40973267) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID40973267
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](O)C1
InChIInChI=1S/C12H14Cl2N2O2/c13-10-4-3-8(6-11(10)14)15-12(18)16-5-1-2-9(17)7-16/h3-4,6,9,17H,1-2,5,7H2,(H,15,18)/t9-/m1/s1
InChIKeyNYDUBXDUDTVNRS-SECBINFHSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 94819719
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95788981
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
(3R)-N-(3-chloro-4-methylphenyl)-3-hydroxypiperidine-1-carbothioamide
CID 8669572
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 75461125

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide (CID 40973267) is (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is NYDUBXDUDTVNRS-SECBINFHSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-10-4-3-8(6-11(10)14)15-12(18)16-5-1-2-9(17)7-16/h3-4,6,9,17H,1-2,5,7H2,(H,15,18)/t9-/m1/s1.
What are the key properties of (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide?
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 40973267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).