N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide

C21H31N3O4S — CID 42959145

IUPACN-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C21H31N3O4S/c1-2-15-29(27,28)24-12-6-9-18(16-24)21(26)23-13-10-19(11-14-23)22-20(25)17-7-4-3-5-8-17/h3-5,7-8,18-19H,2,6,9-16H2,1H3,(H,22,25)
InChIKeyNUDRKMHTYSIFNP-UHFFFAOYSA-N
MW421.56 g/mol
LogP1.86
Rot. Bonds6

About N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide

N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide (PubChem CID 42959145) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
PubChem CID42959145
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC NameN-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C21H31N3O4S/c1-2-15-29(27,28)24-12-6-9-18(16-24)21(26)23-13-10-19(11-14-23)22-20(25)17-7-4-3-5-8-17/h3-5,7-8,18-19H,2,6,9-16H2,1H3,(H,22,25)
InChIKeyNUDRKMHTYSIFNP-UHFFFAOYSA-N
XLogP1.86
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidin-4-yl]-4-fluorobenzamide
CID 46431291
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55647005
N-[(1R,2R)-2-benzamidocyclohexyl]-1-octylsulfonylpiperidine-3-carboxamide
CID 51070997
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
[(3R)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 38015366
N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
CID 136576495
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 46489746
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55798853
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide (CID 42959145) is N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide is CCCS(=O)(=O)N1CCCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1.
What is the InChIKey of N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is NUDRKMHTYSIFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-2-15-29(27,28)24-12-6-9-18(16-24)21(26)23-13-10-19(11-14-23)22-20(25)17-7-4-3-5-8-17/h3-5,7-8,18-19H,2,6,9-16H2,1H3,(H,22,25).
What are the key properties of N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide?
N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 421.56 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 42959145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).