(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide

C18H28N2O3S — CID 98679681

IUPAC(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](C)c2ccccc2)C1
InChIInChI=1S/C18H28N2O3S/c1-3-12-24(22,23)20-11-7-10-17(14-20)18(21)19-13-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3,(H,19,21)/t15-,17+/m0/s1
InChIKeyLMXCHXMUMGLBRV-DOTOQJQBSA-N
MW352.50 g/mol
LogP2.36
Rot. Bonds7

About (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide

(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 98679681) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID98679681
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](C)c2ccccc2)C1
InChIInChI=1S/C18H28N2O3S/c1-3-12-24(22,23)20-11-7-10-17(14-20)18(21)19-13-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3,(H,19,21)/t15-,17+/m0/s1
InChIKeyLMXCHXMUMGLBRV-DOTOQJQBSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133239662
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
CID 51941120
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 56522619
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 3242399
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 100901271

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 98679681) is (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](C)c2ccccc2)C1.
What is the InChIKey of (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is LMXCHXMUMGLBRV-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-3-12-24(22,23)20-11-7-10-17(14-20)18(21)19-13-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3,(H,19,21)/t15-,17+/m0/s1.
What are the key properties of (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 98679681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).