2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide

C20H23FN4O2 — CID 92636594

IUPAC2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)N(C)C
InChIInChI=1S/C20H23FN4O2/c1-13-16(20(27)24(2)3)12-22-18(23-13)17-6-4-5-11-25(17)19(26)14-7-9-15(21)10-8-14/h7-10,12,17H,4-6,11H2,1-3H3/t17-/m1/s1
InChIKeyFMQTUPUHCAZDPH-QGZVFWFLSA-N
MW370.43 g/mol
LogP2.99
Rot. Bonds3

About 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide

2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide (PubChem CID 92636594) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
PubChem CID92636594
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)N(C)C
InChIInChI=1S/C20H23FN4O2/c1-13-16(20(27)24(2)3)12-22-18(23-13)17-6-4-5-11-25(17)19(26)14-7-9-15(21)10-8-14/h7-10,12,17H,4-6,11H2,1-3H3/t17-/m1/s1
InChIKeyFMQTUPUHCAZDPH-QGZVFWFLSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
2-[(2S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636783
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247808
2-[(2R)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636784
(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636277
2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110084642
N,N,4-trimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247824
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639724
N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247791
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92640294

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide (CID 92636594) is 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide is Cc1nc([C@H]2CCCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)N(C)C.
What is the InChIKey of 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
The InChIKey is FMQTUPUHCAZDPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-13-16(20(27)24(2)3)12-22-18(23-13)17-6-4-5-11-25(17)19(26)14-7-9-15(21)10-8-14/h7-10,12,17H,4-6,11H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 92636594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).