1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide

C24H32N2O4S — CID 43908136

IUPAC1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)C2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1
InChIInChI=1S/C24H32N2O4S/c1-19(2)30-23-14-6-13-22(17-23)25-24(27)21-12-7-15-26(18-21)31(28,29)16-8-11-20-9-4-3-5-10-20/h3-6,9-10,13-14,17,19,21H,7-8,11-12,15-16,18H2,1-2H3,(H,25,27)
InChIKeyASEBAIRWYBVQHW-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.09
Rot. Bonds9

About 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide

1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 43908136) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID43908136
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)C2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1
InChIInChI=1S/C24H32N2O4S/c1-19(2)30-23-14-6-13-22(17-23)25-24(27)21-12-7-15-26(18-21)31(28,29)16-8-11-20-9-4-3-5-10-20/h3-6,9-10,13-14,17,19,21H,7-8,11-12,15-16,18H2,1-2H3,(H,25,27)
InChIKeyASEBAIRWYBVQHW-UHFFFAOYSA-N
XLogP4.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 99949692
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
(3S)-1-(3-phenylpropylsulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92675636
N-(4-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43916521
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43916267
(3R)-1-(3-phenylpropylsulfonyl)-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 94864145
(3S)-N-(2,6-difluorophenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28579455
(3S)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94864406
(3S)-N-(2,3-dimethylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28566089
1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 110335932

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 43908136) is 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide is CC(C)Oc1cccc(NC(=O)C2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1.
What is the InChIKey of 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is ASEBAIRWYBVQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-19(2)30-23-14-6-13-22(17-23)25-24(27)21-12-7-15-26(18-21)31(28,29)16-8-11-20-9-4-3-5-10-20/h3-6,9-10,13-14,17,19,21H,7-8,11-12,15-16,18H2,1-2H3,(H,25,27).
What are the key properties of 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43908136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).