N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide

C19H30N2O3S — CID 55484384

IUPACN-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)(C)c1ccc(CCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)16-8-5-15(6-9-16)7-10-18(22)21-13-11-17(12-14-21)20-25(4,23)24/h5-6,8-9,17,20H,7,10-14H2,1-4H3
InChIKeyHHCWHIOSHMTLBG-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.46
Rot. Bonds5

About N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide

N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 55484384) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
PubChem CID55484384
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)(C)c1ccc(CCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)16-8-5-15(6-9-16)7-10-18(22)21-13-11-17(12-14-21)20-25(4,23)24/h5-6,8-9,17,20H,7,10-14H2,1-4H3
InChIKeyHHCWHIOSHMTLBG-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
3-(4-tert-butylphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119543706
3-(4-tert-butylphenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112537676
3-(4-tert-butylphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561168
4-[3-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 125151434
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
3-(4-tert-butylphenyl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 110721422
N-[[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 55678133
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
3-(4-tert-butylphenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 119636026
3-(4-tert-butylphenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 46511092
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide (CID 55484384) is N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide is CC(C)(C)c1ccc(CCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is HHCWHIOSHMTLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-19(2,3)16-8-5-15(6-9-16)7-10-18(22)21-13-11-17(12-14-21)20-25(4,23)24/h5-6,8-9,17,20H,7,10-14H2,1-4H3.
What are the key properties of N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 55484384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).