1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide

C15H21ClN2O2 — CID 63371196

IUPAC1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-10(19)11-6-7-13(12(16)9-11)18-8-4-3-5-14(18)15(20)17-2/h6-7,9-10,14,19H,3-5,8H2,1-2H3,(H,17,20)/t10-,14?/m1/s1
InChIKeyGFKDTWZAZJZCKR-IAPIXIRKSA-N
MW296.80 g/mol
LogP2.50
Rot. Bonds3

About 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide

1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide (PubChem CID 63371196) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
PubChem CID63371196
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-10(19)11-6-7-13(12(16)9-11)18-8-4-3-5-14(18)15(20)17-2/h6-7,9-10,14,19H,3-5,8H2,1-2H3,(H,17,20)/t10-,14?/m1/s1
InChIKeyGFKDTWZAZJZCKR-IAPIXIRKSA-N
XLogP2.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690625
1-[2-chloro-4-(hydroxymethyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 81151277
(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
CID 55184827
4-chloro-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 114845024
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 63371325
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 78940404
5-chloro-2-[2-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 55010109
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369
1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 63094081
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide (CID 63371196) is 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1ccc([C@@H](C)O)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is GFKDTWZAZJZCKR-IAPIXIRKSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(19)11-6-7-13(12(16)9-11)18-8-4-3-5-14(18)15(20)17-2/h6-7,9-10,14,19H,3-5,8H2,1-2H3,(H,17,20)/t10-,14?/m1/s1.
What are the key properties of 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide?
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 63371196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).