(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide

C20H31N3O4S — CID 51956462

IUPAC(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2OC2CCCC2)C1
InChIInChI=1S/C20H31N3O4S/c1-2-13-28(25,26)23-12-6-8-17(15-23)19(24)22-14-16-7-5-11-21-20(16)27-18-9-3-4-10-18/h5,7,11,17-18H,2-4,6,8-10,12-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyJEKUAKDKIBKUFT-QGZVFWFLSA-N
MW409.55 g/mol
LogP2.47
Rot. Bonds8

About (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide

(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 51956462) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID51956462
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2OC2CCCC2)C1
InChIInChI=1S/C20H31N3O4S/c1-2-13-28(25,26)23-12-6-8-17(15-23)19(24)22-14-16-7-5-11-21-20(16)27-18-9-3-4-10-18/h5,7,11,17-18H,2-4,6,8-10,12-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyJEKUAKDKIBKUFT-QGZVFWFLSA-N
XLogP2.47
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
CID 51941848
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55790751
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966193
trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958593
1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335855
N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335849
(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579409
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55745815
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 51956462) is (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2OC2CCCC2)C1.
What is the InChIKey of (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is JEKUAKDKIBKUFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-2-13-28(25,26)23-12-6-8-17(15-23)19(24)22-14-16-7-5-11-21-20(16)27-18-9-3-4-10-18/h5,7,11,17-18H,2-4,6,8-10,12-15H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51956462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).