[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone

C21H26FN5O — CID 53102154

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)n1
InChIInChI=1S/C21H26FN5O/c1-16-6-9-23-21(24-16)27-10-7-17(8-11-27)20(28)26-14-12-25(13-15-26)19-5-3-2-4-18(19)22/h2-6,9,17H,7-8,10-15H2,1H3
InChIKeyLWDUWKROUWOCEN-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.49
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone (PubChem CID 53102154) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
PubChem CID53102154
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)n1
InChIInChI=1S/C21H26FN5O/c1-16-6-9-23-21(24-16)27-10-7-17(8-11-27)20(28)26-14-12-25(13-15-26)19-5-3-2-4-18(19)22/h2-6,9,17H,7-8,10-15H2,1H3
InChIKeyLWDUWKROUWOCEN-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
2-[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005631
2-[(2R)-4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005985
2-[(2R)-4-(4-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005986
[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-[1-(4,6-dimethyl-pyrimidin-2-yl)-piperidin-4-yl]-methanone
CID 646291
N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223222
2-[3-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11187702
N-methyl-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 14722184
N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 14722185
2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005270
2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005628
3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005629

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone (CID 53102154) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone is Cc1ccnc(N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)n1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The InChIKey is LWDUWKROUWOCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-16-6-9-23-21(24-16)27-10-7-17(8-11-27)20(28)26-14-12-25(13-15-26)19-5-3-2-4-18(19)22/h2-6,9,17H,7-8,10-15H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53102154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).