(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide

C15H22N4O2 — CID 97259562

IUPAC(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C15H22N4O2/c1-2-16-14(20)11-4-3-8-18(10-11)13-15(21)19(9-7-17-13)12-5-6-12/h7,9,11-12H,2-6,8,10H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyXUHBLOZMZZJKTR-NSHDSACASA-N
MW290.37 g/mol
LogP0.93
Rot. Bonds4

About (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide

(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide (PubChem CID 97259562) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide
PubChem CID97259562
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C15H22N4O2/c1-2-16-14(20)11-4-3-8-18(10-11)13-15(21)19(9-7-17-13)12-5-6-12/h7,9,11-12H,2-6,8,10H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyXUHBLOZMZZJKTR-NSHDSACASA-N
XLogP0.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide (CID 97259562) is (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@H]1CCCN(c2nccn(C3CC3)c2=O)C1.
What is the InChIKey of (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide?
The InChIKey is XUHBLOZMZZJKTR-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-16-14(20)11-4-3-8-18(10-11)13-15(21)19(9-7-17-13)12-5-6-12/h7,9,11-12H,2-6,8,10H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide?
(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 97259562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).