2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide

C28H34N4O2 — CID 129454151

IUPAC2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
SMILESCOc1ccccc1-c1ccccc1CN1CCC(C)(c2nc(C)cc(C(=O)N(C)C)n2)CC1
InChIInChI=1S/C28H34N4O2/c1-20-18-24(26(33)31(3)4)30-27(29-20)28(2)14-16-32(17-15-28)19-21-10-6-7-11-22(21)23-12-8-9-13-25(23)34-5/h6-13,18H,14-17,19H2,1-5H3
InChIKeyCXHNCZPMZSHYLC-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.72
Rot. Bonds6

About 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide

2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide (PubChem CID 129454151) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
PubChem CID129454151
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
SMILESCOc1ccccc1-c1ccccc1CN1CCC(C)(c2nc(C)cc(C(=O)N(C)C)n2)CC1
InChIInChI=1S/C28H34N4O2/c1-20-18-24(26(33)31(3)4)30-27(29-20)28(2)14-16-32(17-15-28)19-21-10-6-7-11-22(21)23-12-8-9-13-25(23)34-5/h6-13,18H,14-17,19H2,1-5H3
InChIKeyCXHNCZPMZSHYLC-UHFFFAOYSA-N
XLogP4.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide
CID 110150981
2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
CID 175658636
4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897
4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide
CID 134788455
1-[[2-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149805
1-[1'-[(2-methoxyphenyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089626
1-[(2-fluorophenyl)methyl]-3-[[2-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 110229392
6-[(2-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370228
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 45210366
1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone
CID 147602022
N-[(2-methoxyphenyl)methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 110851542

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide?
The IUPAC name of 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide (CID 129454151) is 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide is COc1ccccc1-c1ccccc1CN1CCC(C)(c2nc(C)cc(C(=O)N(C)C)n2)CC1.
What is the InChIKey of 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide?
The InChIKey is CXHNCZPMZSHYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-20-18-24(26(33)31(3)4)30-27(29-20)28(2)14-16-32(17-15-28)19-21-10-6-7-11-22(21)23-12-8-9-13-25(23)34-5/h6-13,18H,14-17,19H2,1-5H3.
What are the key properties of 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide?
2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 129454151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).