1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide

C18H21FN4O — CID 118450460

IUPAC1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cncnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN4O/c1-22(2)18(24)14-7-9-23(10-8-14)16-11-20-12-21-17(16)13-3-5-15(19)6-4-13/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyJSUDZDWPRJJVLA-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.59
Rot. Bonds3

About 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide

1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 118450460) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID118450460
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cncnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN4O/c1-22(2)18(24)14-7-9-23(10-8-14)16-11-20-12-21-17(16)13-3-5-15(19)6-4-13/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyJSUDZDWPRJJVLA-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464113
(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(2-(4-methylpiperazin-1-yl)-4-o-tolylpyrimidin-5-yl)propanamide
CID 9873032
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
Pyrimidine-4-carboxamide, 60
CID 44520957
Pyrimidine-4-carboxamide, 62
CID 44520958
7-[(1~{s})-1-(4-Fluorophenyl)ethyl]-5,5-Dimethyl-2-(Pyridin-3-Ylamino)pyrrolo[2,3-D]pyrimidin-6-One
CID 127021001
8-Cyclopropyl-6-(4-fluorophenyl)-2-methoxypteridin-7-one
CID 3233318
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716418

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 118450460) is 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2cncnc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is JSUDZDWPRJJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-22(2)18(24)14-7-9-23(10-8-14)16-11-20-12-21-17(16)13-3-5-15(19)6-4-13/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide?
1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 118450460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).