(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide

C17H31N3O4S — CID 94101912

IUPAC(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC(=O)N2CCCCC2)C1
InChIInChI=1S/C17H31N3O4S/c1-2-13-25(23,24)20-12-6-7-15(14-20)17(22)18-9-8-16(21)19-10-4-3-5-11-19/h15H,2-14H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyYBYYRMXLBRTOTQ-OAHLLOKOSA-N
MW373.52 g/mol
LogP0.96
Rot. Bonds7

About (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide

(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 94101912) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID94101912
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC Name(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC(=O)N2CCCCC2)C1
InChIInChI=1S/C17H31N3O4S/c1-2-13-25(23,24)20-12-6-7-15(14-20)17(22)18-9-8-16(21)19-10-4-3-5-11-19/h15H,2-14H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyYBYYRMXLBRTOTQ-OAHLLOKOSA-N
XLogP0.96
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55716455
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
(3S)-1-(4-chlorophenyl)sulfonyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 42535536
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
N-[3-[4-(dimethylamino)phenyl]propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55683504
N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 3242399
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 94101912) is (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC(=O)N2CCCCC2)C1.
What is the InChIKey of (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is YBYYRMXLBRTOTQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-2-13-25(23,24)20-12-6-7-15(14-20)17(22)18-9-8-16(21)19-10-4-3-5-11-19/h15H,2-14H2,1H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 94101912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).