[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

C19H23FN4O — CID 110116957

IUPAC[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCN(C)Cc1nccnc1C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O/c1-23(2)13-17-18(22-10-9-21-17)14-7-11-24(12-8-14)19(25)15-3-5-16(20)6-4-15/h3-6,9-10,14H,7-8,11-13H2,1-2H3
InChIKeySOTRJABUINQVQK-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.70
Rot. Bonds4

About [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 110116957) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID110116957
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCN(C)Cc1nccnc1C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O/c1-23(2)13-17-18(22-10-9-21-17)14-7-11-24(12-8-14)19(25)15-3-5-16(20)6-4-15/h3-6,9-10,14H,7-8,11-13H2,1-2H3
InChIKeySOTRJABUINQVQK-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110116964
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46965174
[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 58494521
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid
CID 66986290
[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164861
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110110080
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110250053
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 31238759

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 110116957) is [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is CN(C)Cc1nccnc1C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is SOTRJABUINQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-23(2)13-17-18(22-10-9-21-17)14-7-11-24(12-8-14)19(25)15-3-5-16(20)6-4-15/h3-6,9-10,14H,7-8,11-13H2,1-2H3.
What are the key properties of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 342.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 110116957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).