(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide

C18H24N6O3 — CID 129344812

IUPAC(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H24N6O3/c1-11-6-7-23(3)17(25)14(11)19-18(26)24-9-8-22(2)13(10-24)16-20-15(21-27-16)12-4-5-12/h6-7,12-13H,4-5,8-10H2,1-3H3,(H,19,26)/t13-/m0/s1
InChIKeySAUIPQYJYUYCLF-ZDUSSCGKSA-N
MW372.43 g/mol
LogP1.47
Rot. Bonds3

About (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide

(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide (PubChem CID 129344812) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide
PubChem CID129344812
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H24N6O3/c1-11-6-7-23(3)17(25)14(11)19-18(26)24-9-8-22(2)13(10-24)16-20-15(21-27-16)12-4-5-12/h6-7,12-13H,4-5,8-10H2,1-3H3,(H,19,26)/t13-/m0/s1
InChIKeySAUIPQYJYUYCLF-ZDUSSCGKSA-N
XLogP1.47
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129484364
(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129482975
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129483705
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 129483030
(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 97339609
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-3-(1-methylcyclopropyl)propan-1-one
CID 136565189
3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129484503
3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 90564410
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 164638325
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 120958246
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86803953
(3-methylfuran-2-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482631

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide (CID 129344812) is (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide is Cc1ccn(C)c(=O)c1NC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1.
What is the InChIKey of (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is SAUIPQYJYUYCLF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-11-6-7-23(3)17(25)14(11)19-18(26)24-9-8-22(2)13(10-24)16-20-15(21-27-16)12-4-5-12/h6-7,12-13H,4-5,8-10H2,1-3H3,(H,19,26)/t13-/m0/s1.
What are the key properties of (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide?
(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 129344812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).