N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide

C17H26N2O3S — CID 43073250

IUPACN-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCC(CC(=O)N1CCCCC1CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-14(15-8-4-3-5-9-15)12-17(20)19-11-7-6-10-16(19)13-18-23(2,21)22/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3
InChIKeyQQRNEPYGXRKVMB-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.11
Rot. Bonds6

About N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43073250) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43073250
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCC(CC(=O)N1CCCCC1CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-14(15-8-4-3-5-9-15)12-17(20)19-11-7-6-10-16(19)13-18-23(2,21)22/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3
InChIKeyQQRNEPYGXRKVMB-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 95134922
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 120609023
3-(3-fluorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119649913
(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide
CID 95134126
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
1-[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 47029987
3-(3-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119651265
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 61329043
N-[[(2R)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 31998085
N-[[1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073396

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide (CID 43073250) is N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide is CC(CC(=O)N1CCCCC1CNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is QQRNEPYGXRKVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14(15-8-4-3-5-9-15)12-17(20)19-11-7-6-10-16(19)13-18-23(2,21)22/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3.
What are the key properties of N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43073250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).