N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide

C19H26N4O2 — CID 75518181

IUPACN-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(NC(CC1CCC1)c1ccccc1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C19H26N4O2/c24-18-20-12-16-13-22(9-10-23(16)18)19(25)21-17(11-14-5-4-6-14)15-7-2-1-3-8-15/h1-3,7-8,14,16-17H,4-6,9-13H2,(H,20,24)(H,21,25)
InChIKeyGFTTZCKPDCYVJN-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.34
Rot. Bonds4

About N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide

N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 75518181) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID75518181
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(NC(CC1CCC1)c1ccccc1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C19H26N4O2/c24-18-20-12-16-13-22(9-10-23(16)18)19(25)21-17(11-14-5-4-6-14)15-7-2-1-3-8-15/h1-3,7-8,14,16-17H,4-6,9-13H2,(H,20,24)(H,21,25)
InChIKeyGFTTZCKPDCYVJN-UHFFFAOYSA-N
XLogP2.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 110012928
3-hydroxy-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]propanoic acid
CID 79095249
3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile
CID 79096457
N-cyclobutyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 113255355
3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide
CID 110027227
7-(3-phenyl-2-sulfanylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 107031946
2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79096477
2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]hexanoic acid
CID 79095247
N-cyclopropyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 115682833
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
(2S)-4-methylsulfanyl-2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid
CID 79096302
2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 146133775

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 75518181) is N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide is O=C(NC(CC1CCC1)c1ccccc1)N1CCN2C(=O)NCC2C1.
What is the InChIKey of N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is GFTTZCKPDCYVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-20-12-16-13-22(9-10-23(16)18)19(25)21-17(11-14-5-4-6-14)15-7-2-1-3-8-15/h1-3,7-8,14,16-17H,4-6,9-13H2,(H,20,24)(H,21,25).
What are the key properties of N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide?
N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 75518181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).