N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride

C14H19Cl3N2O2 — CID 119323089

IUPACN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)c1ccc(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-10-1-2-11(12(16)7-10)13(19)8-18-14(20)9-3-5-17-6-4-9;/h1-2,7,9,13,17,19H,3-6,8H2,(H,18,20);1H
InChIKeyKPDXDAFNWVAFBI-UHFFFAOYSA-N
MW353.68 g/mol
LogP2.56
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119323089) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119323089
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)c1ccc(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-10-1-2-11(12(16)7-10)13(19)8-18-14(20)9-3-5-17-6-4-9;/h1-2,7,9,13,17,19H,3-6,8H2,(H,18,20);1H
InChIKeyKPDXDAFNWVAFBI-UHFFFAOYSA-N
XLogP2.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701417
trans-(1R,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701313
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
(4R)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124594947
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 119293173
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 124589589
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 119287242

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride (CID 119323089) is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCC(O)c1ccc(Cl)cc1Cl)C1CCNCC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is KPDXDAFNWVAFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c15-10-1-2-11(12(16)7-10)13(19)8-18-14(20)9-3-5-17-6-4-9;/h1-2,7,9,13,17,19H,3-6,8H2,(H,18,20);1H.
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride?
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119323089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).