(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide

C16H24N2O4S — CID 95119279

IUPAC(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C16H24N2O4S/c1-12(2)22-15-8-4-7-14(10-15)17-16(19)13-6-5-9-18(11-13)23(3,20)21/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyJNJHWQUDXYKRQW-CYBMUJFWSA-N
MW340.45 g/mol
LogP2.08
Rot. Bonds5

About (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide

(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 95119279) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID95119279
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C16H24N2O4S/c1-12(2)22-15-8-4-7-14(10-15)17-16(19)13-6-5-9-18(11-13)23(3,20)21/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyJNJHWQUDXYKRQW-CYBMUJFWSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43054004
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43908136
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43061762
(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258371
1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132657660
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 100652108
(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 33173212

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 95119279) is (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide is CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is JNJHWQUDXYKRQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)22-15-8-4-7-14(10-15)17-16(19)13-6-5-9-18(11-13)23(3,20)21/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 95119279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).