4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide

C18H22N4O2 — CID 119707150

IUPAC4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)CCNCC1
InChIInChI=1S/C18H22N4O2/c1-13-20-9-6-16(21-13)14-4-3-5-15(12-14)22-17(23)18(24-2)7-10-19-11-8-18/h3-6,9,12,19H,7-8,10-11H2,1-2H3,(H,22,23)
InChIKeyWAKLWQQJBSFOIK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.16
Rot. Bonds4

About 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide

4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 119707150) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID119707150
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)CCNCC1
InChIInChI=1S/C18H22N4O2/c1-13-20-9-6-16(21-13)14-4-3-5-15(12-14)22-17(23)18(24-2)7-10-19-11-8-18/h3-6,9,12,19H,7-8,10-11H2,1-2H3,(H,22,23)
InChIKeyWAKLWQQJBSFOIK-UHFFFAOYSA-N
XLogP2.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119808907
4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119399884
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119763609
4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 119399848
4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119399847
N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119795061
4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119884858
1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide
CID 51113892
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 137028921
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide (CID 119707150) is 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide is COC1(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is WAKLWQQJBSFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-20-9-6-16(21-13)14-4-3-5-15(12-14)22-17(23)18(24-2)7-10-19-11-8-18/h3-6,9,12,19H,7-8,10-11H2,1-2H3,(H,22,23).
What are the key properties of 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide?
4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119707150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).