(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C19H24N6O2 — CID 52536774

IUPAC(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1
InChIInChI=1S/C19H24N6O2/c1-23-13-21-22-18(23)14-5-4-8-24(10-14)19(27)15-9-17(26)25(11-15)12-16-6-2-3-7-20-16/h2-3,6-7,13-15H,4-5,8-12H2,1H3/t14-,15+/m0/s1
InChIKeyHXDMVVOKWJJTBM-LSDHHAIUSA-N
MW368.44 g/mol
LogP0.96
Rot. Bonds4

About (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 52536774) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID52536774
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1
InChIInChI=1S/C19H24N6O2/c1-23-13-21-22-18(23)14-5-4-8-24(10-14)19(27)15-9-17(26)25(11-15)12-16-6-2-3-7-20-16/h2-3,6-7,13-15H,4-5,8-12H2,1H3/t14-,15+/m0/s1
InChIKeyHXDMVVOKWJJTBM-LSDHHAIUSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
5-oxo-N-[4-(piperidine-1-carbonyl)cyclohexyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 169418251
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 78982839
1-butyl-4-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperazin-2-one
CID 97207249
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560
(4S)-4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95532445
(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458
(4R)-1-(pyridin-2-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 96783398
(4R)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38474545
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97200214
3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97275577
(4S)-1-(pyridin-2-ylmethyl)-4-[4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 97130441

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 52536774) is (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1.
What is the InChIKey of (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is HXDMVVOKWJJTBM-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-23-13-21-22-18(23)14-5-4-8-24(10-14)19(27)15-9-17(26)25(11-15)12-16-6-2-3-7-20-16/h2-3,6-7,13-15H,4-5,8-12H2,1H3/t14-,15+/m0/s1.
What are the key properties of (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 368.44 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 52536774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).