N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide

C14H18Cl2N2O2 — CID 62356957

IUPACN-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-4-3-11(8-13(12)16)17-14(20)18-6-1-2-10(9-18)5-7-19/h3-4,8,10,19H,1-2,5-7,9H2,(H,17,20)
InChIKeyGACTWAQHJUOFEP-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.62
Rot. Bonds3

About N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide

N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 62356957) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID62356957
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-4-3-11(8-13(12)16)17-14(20)18-6-1-2-10(9-18)5-7-19/h3-4,8,10,19H,1-2,5-7,9H2,(H,17,20)
InChIKeyGACTWAQHJUOFEP-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115667783
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95788981
methyl 2-chloro-4-[[(3S)-3-(methylsulfanylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 97274178
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide (CID 62356957) is N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCC(CCO)C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is GACTWAQHJUOFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-12-4-3-11(8-13(12)16)17-14(20)18-6-1-2-10(9-18)5-7-19/h3-4,8,10,19H,1-2,5-7,9H2,(H,17,20).
What are the key properties of N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 62356957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).