[3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone

C22H26N4O — CID 110100245

IUPAC[3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone
SMILESCN(C)c1nc(C2(C)CCCN(C(=O)c3ccccc3)C2)cn2cccc12
InChIInChI=1S/C22H26N4O/c1-22(19-15-25-13-7-11-18(25)20(23-19)24(2)3)12-8-14-26(16-22)21(27)17-9-5-4-6-10-17/h4-7,9-11,13,15H,8,12,14,16H2,1-3H3
InChIKeyKTRGNVOUNZRXRI-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.59
Rot. Bonds3

About [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone

[3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone (PubChem CID 110100245) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone
PubChem CID110100245
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone
SMILESCN(C)c1nc(C2(C)CCCN(C(=O)c3ccccc3)C2)cn2cccc12
InChIInChI=1S/C22H26N4O/c1-22(19-15-25-13-7-11-18(25)20(23-19)24(2)3)12-8-14-26(16-22)21(27)17-9-5-4-6-10-17/h4-7,9-11,13,15H,8,12,14,16H2,1-3H3
InChIKeyKTRGNVOUNZRXRI-UHFFFAOYSA-N
XLogP3.59
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125008542
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone
CID 120864606
3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124996320
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
tert-butyl N-[2-[[(3S)-1-benzoyl-3-methylpiperidine-3-carbonyl]-methylamino]ethyl]-N-methylcarbamate
CID 97332381
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97150010

Frequently Asked Questions

What is the IUPAC name of [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone (CID 110100245) is [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone is CN(C)c1nc(C2(C)CCCN(C(=O)c3ccccc3)C2)cn2cccc12.
What is the InChIKey of [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone?
The InChIKey is KTRGNVOUNZRXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(19-15-25-13-7-11-18(25)20(23-19)24(2)3)12-8-14-26(16-22)21(27)17-9-5-4-6-10-17/h4-7,9-11,13,15H,8,12,14,16H2,1-3H3.
What are the key properties of [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone?
[3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone has a molecular weight of 362.48 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110100245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).