6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide

C19H32N4O3 — CID 77092176

IUPAC6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCCN1CCC(CN(C)C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1
InChIInChI=1S/C19H32N4O3/c1-19(2,3)16-12-15(20-18(25)21-16)17(24)22(4)13-14-6-8-23(9-7-14)10-11-26-5/h12,14H,6-11,13H2,1-5H3,(H,20,21,25)
InChIKeyXRRMHKWYMIDUPO-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.50
Rot. Bonds6

About 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide

6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 77092176) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID77092176
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCCN1CCC(CN(C)C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1
InChIInChI=1S/C19H32N4O3/c1-19(2,3)16-12-15(20-18(25)21-16)17(24)22(4)13-14-6-8-23(9-7-14)10-11-26-5/h12,14H,6-11,13H2,1-5H3,(H,20,21,25)
InChIKeyXRRMHKWYMIDUPO-UHFFFAOYSA-N
XLogP1.50
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

4-tert-butyl-6-{[4-(piperidin-1-ylmethyl)piperidin-1-yl]carbonyl}pyrimidin-2(1H)-one
CID 91777675
6-tert-butyl-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 99970992
1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-(2-methoxy-1-methylethyl)piperidine-4-carboxamide
CID 46992593
6-isobutyl-4-[(3-propylmorpholin-4-yl)carbonyl]pyrimidin-2(1H)-one
CID 56719135
4-tert-butyl-6-[(3-propoxypiperidin-1-yl)carbonyl]pyrimidin-2(1H)-one
CID 91777142
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391730
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391731
6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 77094035
6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 86283934
6-isobutyl-4-{[3-(morpholin-4-ylmethyl)piperidin-1-yl]carbonyl}pyrimidin-2(1H)-one
CID 86284160
6-tert-butyl-N-{[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl}-N-methyl-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 86285141
4-tert-butyl-6-[(4,4-dimethylpiperidin-1-yl)carbonyl]pyrimidin-2(1H)-one
CID 90649677

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide (CID 77092176) is 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide is COCCN1CCC(CN(C)C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1.
What is the InChIKey of 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is XRRMHKWYMIDUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-19(2,3)16-12-15(20-18(25)21-16)17(24)22(4)13-14-6-8-23(9-7-14)10-11-26-5/h12,14H,6-11,13H2,1-5H3,(H,20,21,25).
What are the key properties of 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 77092176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).