(3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide

C17H26N2O3S — CID 95875444

IUPAC(3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H26N2O3S/c1-17(2,12-14-8-5-4-6-9-14)18-16(20)15-10-7-11-19(13-15)23(3,21)22/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyKRLDERBSCPUDCC-OAHLLOKOSA-N
MW338.47 g/mol
LogP1.80
Rot. Bonds5

About (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide

(3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 95875444) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID95875444
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H26N2O3S/c1-17(2,12-14-8-5-4-6-9-14)18-16(20)15-10-7-11-19(13-15)23(3,21)22/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyKRLDERBSCPUDCC-OAHLLOKOSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide
CID 95875273
N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56922786
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 42939129
N-(2-benzylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 50947150
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7376452
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891
(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 124505189
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 56522619
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide (CID 95875444) is (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide is CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is KRLDERBSCPUDCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,12-14-8-5-4-6-9-14)18-16(20)15-10-7-11-19(13-15)23(3,21)22/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide?
(3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95875444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).