N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H24N4O2 — CID 154742561

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)N2CCN3CCCC3C2)c1
InChIInChI=1S/C18H24N4O2/c23-17(19-14-6-7-14)13-3-1-4-15(11-13)20-18(24)22-10-9-21-8-2-5-16(21)12-22/h1,3-4,11,14,16H,2,5-10,12H2,(H,19,23)(H,20,24)
InChIKeyUSGXNMOFPHFGEH-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.89
Rot. Bonds3

About N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 154742561) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID154742561
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)N2CCN3CCCC3C2)c1
InChIInChI=1S/C18H24N4O2/c23-17(19-14-6-7-14)13-3-1-4-15(11-13)20-18(24)22-10-9-21-8-2-5-16(21)12-22/h1,3-4,11,14,16H,2,5-10,12H2,(H,19,23)(H,20,24)
InChIKeyUSGXNMOFPHFGEH-UHFFFAOYSA-N
XLogP1.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 118779622
(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 29022203
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796327
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518848
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
(3S)-1-cyclopentyl-N-[3-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 27447746
N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629792
(9aR)-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97022143

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 154742561) is N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is O=C(NC1CC1)c1cccc(NC(=O)N2CCN3CCCC3C2)c1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is USGXNMOFPHFGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(19-14-6-7-14)13-3-1-4-15(11-13)20-18(24)22-10-9-21-8-2-5-16(21)12-22/h1,3-4,11,14,16H,2,5-10,12H2,(H,19,23)(H,20,24).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 154742561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).