(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C14H23N3O4S — CID 94008544

IUPAC(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C14H23N3O4S/c1-22(20,21)16-6-4-11(5-7-16)15-14(19)10-8-13(18)17(9-10)12-2-3-12/h10-12H,2-9H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyGTCKIMIHWPAKLL-SNVBAGLBSA-N
MW329.42 g/mol
LogP-0.46
Rot. Bonds4

About (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 94008544) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID94008544
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C14H23N3O4S/c1-22(20,21)16-6-4-11(5-7-16)15-14(19)10-8-13(18)17(9-10)12-2-3-12/h10-12H,2-9H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyGTCKIMIHWPAKLL-SNVBAGLBSA-N
XLogP-0.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696646
(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97040965
(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95164310
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
1-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110687491
(3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52900244
1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110411749
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 72910701
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110871494
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 94008544) is (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GTCKIMIHWPAKLL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-22(20,21)16-6-4-11(5-7-16)15-14(19)10-8-13(18)17(9-10)12-2-3-12/h10-12H,2-9H2,1H3,(H,15,19)/t10-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.42 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94008544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).