N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide

C20H25FN4O — CID 118782996

IUPACN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccc(F)cc2)N2CCCCC2)nc(C)n1
InChIInChI=1S/C20H25FN4O/c1-14-12-18(24-15(2)23-14)20(26)22-13-19(25-10-4-3-5-11-25)16-6-8-17(21)9-7-16/h6-9,12,19H,3-5,10-11,13H2,1-2H3,(H,22,26)
InChIKeyBKEWSNBZOPVCSE-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide

N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 118782996) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID118782996
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC NameN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccc(F)cc2)N2CCCCC2)nc(C)n1
InChIInChI=1S/C20H25FN4O/c1-14-12-18(24-15(2)23-14)20(26)22-13-19(25-10-4-3-5-11-25)16-6-8-17(21)9-7-16/h6-9,12,19H,3-5,10-11,13H2,1-2H3,(H,22,26)
InChIKeyBKEWSNBZOPVCSE-UHFFFAOYSA-N
XLogP3.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
2,6-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrimidine-4-carboxamide
CID 95127691
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
1-(difluoromethyl)-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyrazole-3-carboxamide
CID 46957347
1-(difluoromethyl)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazole-3-carboxamide
CID 125169507
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72879927
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51895795
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97144404
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
6-amino-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 91834380
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110623869

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide (CID 118782996) is N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCC(c2ccc(F)cc2)N2CCCCC2)nc(C)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is BKEWSNBZOPVCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-14-12-18(24-15(2)23-14)20(26)22-13-19(25-10-4-3-5-11-25)16-6-8-17(21)9-7-16/h6-9,12,19H,3-5,10-11,13H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 118782996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).