(6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone

C18H23N3O — CID 174192159

IUPAC(6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESC=C1NC(C)=C(C(=O)N2CCCCC2)C(c2ccccc2)N1
InChIInChI=1S/C18H23N3O/c1-13-16(18(22)21-11-7-4-8-12-21)17(20-14(2)19-13)15-9-5-3-6-10-15/h3,5-6,9-10,17,19-20H,2,4,7-8,11-12H2,1H3
InChIKeyUECBNYVJTJJUBN-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.68
Rot. Bonds2

About (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone

(6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone (PubChem CID 174192159) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone
PubChem CID174192159
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESC=C1NC(C)=C(C(=O)N2CCCCC2)C(c2ccccc2)N1
InChIInChI=1S/C18H23N3O/c1-13-16(18(22)21-11-7-4-8-12-21)17(20-14(2)19-13)15-9-5-3-6-10-15/h3,5-6,9-10,17,19-20H,2,4,7-8,11-12H2,1H3
InChIKeyUECBNYVJTJJUBN-UHFFFAOYSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[(4R)-6-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]methanone
CID 99805808
[(4S)-6-methyl-4-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 7859084
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
cyclooctyl (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 722645
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
[(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 135880701
(4R)-4-(2-chlorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 40563254
(5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 135616344
[7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 5113054
4-(3-fluorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,4a,6,7-tetrahydro-1H-quinolin-5-one
CID 4099241
[(3R)-3-phenyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl]-pyrrolidin-1-ylmethanone
CID 142494916
(4R)-6-methyl-5-(morpholine-4-carbonyl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7720780

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone (CID 174192159) is (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone is C=C1NC(C)=C(C(=O)N2CCCCC2)C(c2ccccc2)N1.
What is the InChIKey of (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone?
The InChIKey is UECBNYVJTJJUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-16(18(22)21-11-7-4-8-12-21)17(20-14(2)19-13)15-9-5-3-6-10-15/h3,5-6,9-10,17,19-20H,2,4,7-8,11-12H2,1H3.
What are the key properties of (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone?
(6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone has a molecular weight of 297.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-methylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 174192159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).