N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide

C18H30N4O3 — CID 25339251

IUPACN-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide
SMILESCCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)CN12
InChIInChI=1S/C18H30N4O3/c1-3-21(4-2)16(23)8-7-14-10-19-18(25)15-9-13(11-22(14)15)20-17(24)12-5-6-12/h12-15H,3-11H2,1-2H3,(H,19,25)(H,20,24)/t13-,14+,15-/m0/s1
InChIKeyFPHKGVIKBINQFR-ZNMIVQPWSA-N
MW350.46 g/mol
LogP0.10
Rot. Bonds7

About N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide

N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide (PubChem CID 25339251) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide
PubChem CID25339251
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide
SMILESCCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)CN12
InChIInChI=1S/C18H30N4O3/c1-3-21(4-2)16(23)8-7-14-10-19-18(25)15-9-13(11-22(14)15)20-17(24)12-5-6-12/h12-15H,3-11H2,1-2H3,(H,19,25)(H,20,24)/t13-,14+,15-/m0/s1
InChIKeyFPHKGVIKBINQFR-ZNMIVQPWSA-N
XLogP0.10
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide (CID 25339251) is N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide is CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)CN12.
What is the InChIKey of N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide?
The InChIKey is FPHKGVIKBINQFR-ZNMIVQPWSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-3-21(4-2)16(23)8-7-14-10-19-18(25)15-9-13(11-22(14)15)20-17(24)12-5-6-12/h12-15H,3-11H2,1-2H3,(H,19,25)(H,20,24)/t13-,14+,15-/m0/s1.
What are the key properties of N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide?
N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide has a molecular weight of 350.46 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 25339251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).