N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C26H29N3O3S — CID 30892157

IUPACN-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C26H29N3O3S/c30-26(23-14-18-29(19-15-23)33(31,32)24-12-7-16-27-20-24)28-17-13-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,16,20,23,25H,13-15,17-19H2,(H,28,30)
InChIKeyXWBFWBMTZVVIIP-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.82
Rot. Bonds8

About N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 30892157) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID30892157
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C26H29N3O3S/c30-26(23-14-18-29(19-15-23)33(31,32)24-12-7-16-27-20-24)28-17-13-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,16,20,23,25H,13-15,17-19H2,(H,28,30)
InChIKeyXWBFWBMTZVVIIP-UHFFFAOYSA-N
XLogP3.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071922
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39927268

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 30892157) is N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is XWBFWBMTZVVIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c30-26(23-14-18-29(19-15-23)33(31,32)24-12-7-16-27-20-24)28-17-13-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,16,20,23,25H,13-15,17-19H2,(H,28,30).
What are the key properties of N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30892157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).