N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C18H22N4O3 — CID 3223156

IUPACN-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N4O3/c1-24-14-5-3-6-15(25-2)16(14)21-17(23)13-7-11-22(12-8-13)18-19-9-4-10-20-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyWFLLTACKPCEGQH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.35
Rot. Bonds5

About N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 3223156) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID3223156
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N4O3/c1-24-14-5-3-6-15(25-2)16(14)21-17(23)13-7-11-22(12-8-13)18-19-9-4-10-20-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyWFLLTACKPCEGQH-UHFFFAOYSA-N
XLogP2.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 86998350
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55999654
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 3223156) is N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is COc1cccc(OC)c1NC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is WFLLTACKPCEGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-14-5-3-6-15(25-2)16(14)21-17(23)13-7-11-22(12-8-13)18-19-9-4-10-20-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3223156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).