1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C21H29N5O2 — CID 119046597

IUPAC1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(Cc2cc(C)nc(N(C)C)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-15-13-17(23-21(22-15)25(2)3)14-26-11-9-16(10-12-26)20(27)24-18-7-5-6-8-19(18)28-4/h5-8,13,16H,9-12,14H2,1-4H3,(H,24,27)
InChIKeyYQVWRRBXIBCIIQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.71
Rot. Bonds6

About 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 119046597) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID119046597
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(Cc2cc(C)nc(N(C)C)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-15-13-17(23-21(22-15)25(2)3)14-26-11-9-16(10-12-26)20(27)24-18-7-5-6-8-19(18)28-4/h5-8,13,16H,9-12,14H2,1-4H3,(H,24,27)
InChIKeyYQVWRRBXIBCIIQ-UHFFFAOYSA-N
XLogP2.71
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 86825551
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37177459
1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 124515969
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 47081061
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 119046597) is 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(Cc2cc(C)nc(N(C)C)n2)CC1.
What is the InChIKey of 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is YQVWRRBXIBCIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15-13-17(23-21(22-15)25(2)3)14-26-11-9-16(10-12-26)20(27)24-18-7-5-6-8-19(18)28-4/h5-8,13,16H,9-12,14H2,1-4H3,(H,24,27).
What are the key properties of 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119046597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).