(4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C17H27N5O2 — CID 99795480

IUPAC(4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCCc1nc(C2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)n[nH]1
InChIInChI=1S/C17H27N5O2/c1-4-14-18-16(20-19-14)12-5-7-21(8-6-12)17(24)13-9-15(23)22(10-13)11(2)3/h11-13H,4-10H2,1-3H3,(H,18,19,20)/t13-/m0/s1
InChIKeyORGNCDAMWACMMP-ZDUSSCGKSA-N
MW333.44 g/mol
LogP1.33
Rot. Bonds4

About (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

(4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 99795480) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID99795480
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCCc1nc(C2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)n[nH]1
InChIInChI=1S/C17H27N5O2/c1-4-14-18-16(20-19-14)12-5-7-21(8-6-12)17(24)13-9-15(23)22(10-13)11(2)3/h11-13H,4-10H2,1-3H3,(H,18,19,20)/t13-/m0/s1
InChIKeyORGNCDAMWACMMP-ZDUSSCGKSA-N
XLogP1.33
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 96996747
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155504376
(4S)-4-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
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4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
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4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 108754227
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 114680088
(4R)-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400875
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919
4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110888059
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CID 106671002

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 99795480) is (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CCc1nc(C2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)n[nH]1.
What is the InChIKey of (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is ORGNCDAMWACMMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-4-14-18-16(20-19-14)12-5-7-21(8-6-12)17(24)13-9-15(23)22(10-13)11(2)3/h11-13H,4-10H2,1-3H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 99795480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).