N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide

C23H33N3O4S — CID 55647005

IUPACN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1
InChIInChI=1S/C23H33N3O4S/c1-2-14-31(29,30)25-13-3-4-19(16-25)23(28)26(21-11-12-21)15-17-5-7-18(8-6-17)22(27)24-20-9-10-20/h5-8,19-21H,2-4,9-16H2,1H3,(H,24,27)
InChIKeyGDCNHYRIWPQETM-UHFFFAOYSA-N
MW447.60 g/mol
LogP2.52
Rot. Bonds9

About N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55647005) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55647005
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1
InChIInChI=1S/C23H33N3O4S/c1-2-14-31(29,30)25-13-3-4-19(16-25)23(28)26(21-11-12-21)15-17-5-7-18(8-6-17)22(27)24-20-9-10-20/h5-8,19-21H,2-4,9-16H2,1H3,(H,24,27)
InChIKeyGDCNHYRIWPQETM-UHFFFAOYSA-N
XLogP2.52
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
CID 42959145
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
CID 46438624
N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 86889050
N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55753038
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55798853
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410310
N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99949383
N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285985
N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 110335879
N-[3-[4-(dimethylamino)phenyl]propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55683504

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55647005) is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is GDCNHYRIWPQETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-2-14-31(29,30)25-13-3-4-19(16-25)23(28)26(21-11-12-21)15-17-5-7-18(8-6-17)22(27)24-20-9-10-20/h5-8,19-21H,2-4,9-16H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55647005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).