N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide

C17H26N2O3S — CID 110700192

IUPACN-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H26N2O3S/c1-14(2)19(13-15-7-5-4-6-8-15)17(20)16-9-11-18(12-10-16)23(3,21)22/h4-8,14,16H,9-13H2,1-3H3
InChIKeyPAFBEOQIVOLCRV-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.10
Rot. Bonds5

About N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide

N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 110700192) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID110700192
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H26N2O3S/c1-14(2)19(13-15-7-5-4-6-8-15)17(20)16-9-11-18(12-10-16)23(3,21)22/h4-8,14,16H,9-13H2,1-3H3
InChIKeyPAFBEOQIVOLCRV-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 51323600
N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 109147520
N-benzyl-N-propan-2-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224062
N-benzyl-1-(3-methylbenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 113005476
4-N-benzyl-1-N-cyclohexyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113005494
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 24603644
N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
CID 51320930
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-benzyl-N-(1-cyclobutyl-2-hydroxyethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 167778231
N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 110335879
N-benzyl-1-[[(2R)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl]sulfonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 92865963

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide (CID 110700192) is N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is PAFBEOQIVOLCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14(2)19(13-15-7-5-4-6-8-15)17(20)16-9-11-18(12-10-16)23(3,21)22/h4-8,14,16H,9-13H2,1-3H3.
What are the key properties of N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 110700192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).