1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide

C21H26N4O2 — CID 78860854

IUPAC1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCn3cccc3C2c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c22-21(27)17-8-11-24(12-9-17)19(26)15-25-14-13-23-10-4-7-18(23)20(25)16-5-2-1-3-6-16/h1-7,10,17,20H,8-9,11-15H2,(H2,22,27)
InChIKeyDBMLKXYCSNTQFI-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide

1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide (PubChem CID 78860854) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide
PubChem CID78860854
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCn3cccc3C2c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c22-21(27)17-8-11-24(12-9-17)19(26)15-25-14-13-23-10-4-7-18(23)20(25)16-5-2-1-3-6-16/h1-7,10,17,20H,8-9,11-15H2,(H2,22,27)
InChIKeyDBMLKXYCSNTQFI-UHFFFAOYSA-N
XLogP1.62
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 112820085
N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 46405527
1-(4-benzylpiperidin-1-yl)-2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 42798089
1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide
CID 97132181
N-(4-methylphenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55601063
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
1-[2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetyl]piperidine-4-carboxamide
CID 16674728
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide
CID 46356950
1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 55829549
2-[[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 46481999
1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
CID 17312294

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide (CID 78860854) is 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN2CCn3cccc3C2c2ccccc2)CC1.
What is the InChIKey of 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is DBMLKXYCSNTQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-21(27)17-8-11-24(12-9-17)19(26)15-25-14-13-23-10-4-7-18(23)20(25)16-5-2-1-3-6-16/h1-7,10,17,20H,8-9,11-15H2,(H2,22,27).
What are the key properties of 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide?
1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 78860854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).