(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide

C15H20ClFN2O3S — CID 125145592

IUPAC(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H20ClFN2O3S/c1-23(21,22)10-11-4-3-7-19(9-11)15(20)18-8-12-13(16)5-2-6-14(12)17/h2,5-6,11H,3-4,7-10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyAKBKOWHLXCOPTB-LLVKDONJSA-N
MW362.85 g/mol
LogP2.45
Rot. Bonds4

About (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide

(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide (PubChem CID 125145592) has the molecular formula C15H20ClFN2O3S and a molecular weight of 362.85 g/mol. Its IUPAC name is (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
PubChem CID125145592
Molecular FormulaC15H20ClFN2O3S
Molecular Weight362.85 g/mol
Exact Mass362.09
IUPAC Name(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H20ClFN2O3S/c1-23(21,22)10-11-4-3-7-19(9-11)15(20)18-8-12-13(16)5-2-6-14(12)17/h2,5-6,11H,3-4,7-10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyAKBKOWHLXCOPTB-LLVKDONJSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 125130031
(3S)-3-(methylsulfonylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 126431963
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 125145269
tert-butyl 3-[(2-chloro-6-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 71630780
N-cyclopropyl-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 146083111
3-(methylsulfonylmethyl)-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 119072082
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525
2-(2-chloro-6-fluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493667
(2,3-dimethylphenyl)-[3-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 122132317
2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62689801
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 51680982

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide (CID 125145592) is (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide is CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2c(F)cccc2Cl)C1.
What is the InChIKey of (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
The InChIKey is AKBKOWHLXCOPTB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20ClFN2O3S/c1-23(21,22)10-11-4-3-7-19(9-11)15(20)18-8-12-13(16)5-2-6-14(12)17/h2,5-6,11H,3-4,7-10H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide?
(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide has a molecular weight of 362.85 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125145592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).