N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

C24H32N2O3S — CID 133239662

IUPACN-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-20(22-13-6-3-7-14-22)18-25-24(27)23-15-8-16-26(19-23)30(28,29)17-9-12-21-10-4-2-5-11-21/h2-7,10-11,13-14,20,23H,8-9,12,15-19H2,1H3,(H,25,27)
InChIKeyYMGHHOWLRDRYRH-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.58
Rot. Bonds9

About N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (PubChem CID 133239662) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
PubChem CID133239662
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCC(CNC(=O)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-20(22-13-6-3-7-14-22)18-25-24(27)23-15-8-16-26(19-23)30(28,29)17-9-12-21-10-4-2-5-11-21/h2-7,10-11,13-14,20,23H,8-9,12,15-19H2,1H3,(H,25,27)
InChIKeyYMGHHOWLRDRYRH-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
(3R)-N-[(1S)-1-phenylpropyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019844
(3R)-N-[3-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30394720
(3S)-1-(3-phenylpropylsulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92675636
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125049400
(3R)-N-[(3-methylphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94016222
(3R)-N-[3-(4-fluorophenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28632952
(3R)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94027770
N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43909641

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (CID 133239662) is N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is CC(CNC(=O)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The InChIKey is YMGHHOWLRDRYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-20(22-13-6-3-7-14-22)18-25-24(27)23-15-8-16-26(19-23)30(28,29)17-9-12-21-10-4-2-5-11-21/h2-7,10-11,13-14,20,23H,8-9,12,15-19H2,1H3,(H,25,27).
What are the key properties of N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 133239662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).