N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

C25H31N3O3S — CID 1432061

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C25H31N3O3S/c29-25(26-22-7-6-19-4-3-5-21(19)18-22)20-12-16-27(17-13-20)23-8-10-24(11-9-23)32(30,31)28-14-1-2-15-28/h6-11,18,20H,1-5,12-17H2,(H,26,29)
InChIKeyOWIRDYAHGXMGGK-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.81
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 1432061) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID1432061
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C25H31N3O3S/c29-25(26-22-7-6-19-4-3-5-21(19)18-22)20-12-16-27(17-13-20)23-8-10-24(11-9-23)32(30,31)28-14-1-2-15-28/h6-11,18,20H,1-5,12-17H2,(H,26,29)
InChIKeyOWIRDYAHGXMGGK-UHFFFAOYSA-N
XLogP3.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 1432051
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
N-(4-chloro-3-nitrophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 55363434
N-[4-(methylcarbamoylamino)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46518214
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 30859604
N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanecarboxamide
CID 16930140
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (CID 1432061) is N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)CCC2)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is OWIRDYAHGXMGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c29-25(26-22-7-6-19-4-3-5-21(19)18-22)20-12-16-27(17-13-20)23-8-10-24(11-9-23)32(30,31)28-14-1-2-15-28/h6-11,18,20H,1-5,12-17H2,(H,26,29).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1432061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).