3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C19H23FN4O2 — CID 122258095

IUPAC3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)nc(OC2CCCN(C(=O)NCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H23FN4O2/c1-13-10-14(2)23-18(22-13)26-17-4-3-9-24(12-17)19(25)21-11-15-5-7-16(20)8-6-15/h5-8,10,17H,3-4,9,11-12H2,1-2H3,(H,21,25)
InChIKeyHKCSCIHVDPMSQR-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.99
Rot. Bonds4

About 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 122258095) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID122258095
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)nc(OC2CCCN(C(=O)NCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H23FN4O2/c1-13-10-14(2)23-18(22-13)26-17-4-3-9-24(12-17)19(25)21-11-15-5-7-16(20)8-6-15/h5-8,10,17H,3-4,9,11-12H2,1-2H3,(H,21,25)
InChIKeyHKCSCIHVDPMSQR-UHFFFAOYSA-N
XLogP2.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide
CID 100640493
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 122258099
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122260530
3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 119100545
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 122258109
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122258090
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122257743
cyclohexyl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257735
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 122258095) is 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is Cc1cc(C)nc(OC2CCCN(C(=O)NCc3ccc(F)cc3)C2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is HKCSCIHVDPMSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13-10-14(2)23-18(22-13)26-17-4-3-9-24(12-17)19(25)21-11-15-5-7-16(20)8-6-15/h5-8,10,17H,3-4,9,11-12H2,1-2H3,(H,21,25).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 122258095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).