N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide

C14H18Cl2N2O2 — CID 154759784

IUPACN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
SMILESO=C(NCC(O)c1c(Cl)cccc1Cl)C1CCCNC1
InChIInChI=1S/C14H18Cl2N2O2/c15-10-4-1-5-11(16)13(10)12(19)8-18-14(20)9-3-2-6-17-7-9/h1,4-5,9,12,17,19H,2-3,6-8H2,(H,18,20)
InChIKeyHPHLXTJNKYRTMR-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide (PubChem CID 154759784) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
PubChem CID154759784
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
SMILESO=C(NCC(O)c1c(Cl)cccc1Cl)C1CCCNC1
InChIInChI=1S/C14H18Cl2N2O2/c15-10-4-1-5-11(16)13(10)12(19)8-18-14(20)9-3-2-6-17-7-9/h1,4-5,9,12,17,19H,2-3,6-8H2,(H,18,20)
InChIKeyHPHLXTJNKYRTMR-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 124589589
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 106435475
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119328668
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750736
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[2-(3-chlorophenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119336993
N-(2,3-dihydroxypropyl)piperidine-3-carboxamide
CID 66169749
2-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81134818
N-(2-cyclopropyl-2-hydroxyethyl)piperidine-3-carboxamide
CID 63297016

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide (CID 154759784) is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide is O=C(NCC(O)c1c(Cl)cccc1Cl)C1CCCNC1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The InChIKey is HPHLXTJNKYRTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-10-4-1-5-11(16)13(10)12(19)8-18-14(20)9-3-2-6-17-7-9/h1,4-5,9,12,17,19H,2-3,6-8H2,(H,18,20).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide is sourced from PubChem (CID 154759784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).