(14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide

C19H26N4O3 — CID 138990539

IUPAC(14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide
SMILESO=C1CN2CCN(C(=O)NC3CCCC3)C[C@@H]2COc2ccccc2N1
InChIInChI=1S/C19H26N4O3/c24-18-12-22-9-10-23(19(25)20-14-5-1-2-6-14)11-15(22)13-26-17-8-4-3-7-16(17)21-18/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,20,25)(H,21,24)/t15-/m1/s1
InChIKeyKOGVUIMXVXOVNA-OAHLLOKOSA-N
MW358.44 g/mol
LogP1.66
Rot. Bonds1

About (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide

(14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide (PubChem CID 138990539) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide.

Molecular Properties

Compound Name(14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide
PubChem CID138990539
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide
SMILESO=C1CN2CCN(C(=O)NC3CCCC3)C[C@@H]2COc2ccccc2N1
InChIInChI=1S/C19H26N4O3/c24-18-12-22-9-10-23(19(25)20-14-5-1-2-6-14)11-15(22)13-26-17-8-4-3-7-16(17)21-18/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,20,25)(H,21,24)/t15-/m1/s1
InChIKeyKOGVUIMXVXOVNA-OAHLLOKOSA-N
XLogP1.66
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(14aR)-N-cyclopropyl-10-(3-methoxyphenyl)-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide
CID 138990498
(14aR)-N-cyclopropyl-10-(3,5-dimethyl-1,2-oxazol-4-yl)-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide
CID 138990422
(14aS)-2-benzoyl-10-propan-2-yl-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
CID 138990249
(14aR)-2-(cyclopentanecarbonyl)-10-(3-methoxyphenyl)-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
CID 138990474
(14aS)-2-(3-methylbenzoyl)-10-phenyl-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
CID 138990177
4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide
CID 22580756
(14aR)-10-(3,5-dimethyl-1,2-oxazol-4-yl)-7-oxo-N-propyl-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide
CID 138990423
(14aR)-10-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide
CID 138990427
(3R)-N-cyclopentyl-3-[[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]carbamoyl]piperidine-1-carboxamide
CID 95784756
(3S)-N-cyclopentyl-3-[[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]carbamoyl]piperidine-1-carboxamide
CID 95784757
(14aR)-10-(3-methoxyphenyl)-2-propanoyl-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
CID 138990469
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 153404857

Frequently Asked Questions

What is the IUPAC name of (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide?
The IUPAC name of (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide (CID 138990539) is (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide.
What is the SMILES notation for (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide?
The canonical SMILES for (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide is O=C1CN2CCN(C(=O)NC3CCCC3)C[C@@H]2COc2ccccc2N1.
What is the InChIKey of (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide?
The InChIKey is KOGVUIMXVXOVNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-18-12-22-9-10-23(19(25)20-14-5-1-2-6-14)11-15(22)13-26-17-8-4-3-7-16(17)21-18/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,20,25)(H,21,24)/t15-/m1/s1.
What are the key properties of (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide?
(14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (14aR)-N-cyclopentyl-7-oxo-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonine-2-carboxamide is sourced from PubChem (CID 138990539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).