N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide

C19H29N3O3S — CID 126805259

IUPACN-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCc1ccc(N2CCCC(N3CCC(CNS(C)(=O)=O)CC3)C2=O)cc1
InChIInChI=1S/C19H29N3O3S/c1-15-5-7-17(8-6-15)22-11-3-4-18(19(22)23)21-12-9-16(10-13-21)14-20-26(2,24)25/h5-8,16,18,20H,3-4,9-14H2,1-2H3
InChIKeyHQYDQQTWOLJCDM-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.75
Rot. Bonds5

About N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide

N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 126805259) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide
PubChem CID126805259
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCc1ccc(N2CCCC(N3CCC(CNS(C)(=O)=O)CC3)C2=O)cc1
InChIInChI=1S/C19H29N3O3S/c1-15-5-7-17(8-6-15)22-11-3-4-18(19(22)23)21-12-9-16(10-13-21)14-20-26(2,24)25/h5-8,16,18,20H,3-4,9-14H2,1-2H3
InChIKeyHQYDQQTWOLJCDM-UHFFFAOYSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 23394255
1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one
CID 119036475
4-[(3R)-2-oxo-3-[(4R)-4-propylazepan-1-yl]pyrrolidin-1-yl]benzonitrile
CID 94870898
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110020239
(4S)-4-[(dimethylsulfamoylamino)methyl]-1-(4-methylphenyl)-2-oxopyrrolidine
CID 40912296
2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 134595640
CID 21300613
CID 21300613
1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one
CID 99846809
(3S)-3-[(3R,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-1-phenylpiperidin-2-one
CID 124856267
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 16919630

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide (CID 126805259) is N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide is Cc1ccc(N2CCCC(N3CCC(CNS(C)(=O)=O)CC3)C2=O)cc1.
What is the InChIKey of N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is HQYDQQTWOLJCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-5-7-17(8-6-15)22-11-3-4-18(19(22)23)21-12-9-16(10-13-21)14-20-26(2,24)25/h5-8,16,18,20H,3-4,9-14H2,1-2H3.
What are the key properties of N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide?
N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 126805259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).