1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea

C18H25N5O2 — CID 167829459

IUPAC1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea
SMILESCc1cccc2nc(CN3CCCC(NC(=O)N(C)C)C3)cc(=O)n12
InChIInChI=1S/C18H25N5O2/c1-13-6-4-8-16-19-15(10-17(24)23(13)16)12-22-9-5-7-14(11-22)20-18(25)21(2)3/h4,6,8,10,14H,5,7,9,11-12H2,1-3H3,(H,20,25)
InChIKeyYYTVYAGVNIBJND-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.24
Rot. Bonds3

About 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea

1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea (PubChem CID 167829459) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea
PubChem CID167829459
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea
SMILESCc1cccc2nc(CN3CCCC(NC(=O)N(C)C)C3)cc(=O)n12
InChIInChI=1S/C18H25N5O2/c1-13-6-4-8-16-19-15(10-17(24)23(13)16)12-22-9-5-7-14(11-22)20-18(25)21(2)3/h4,6,8,10,14H,5,7,9,11-12H2,1-3H3,(H,20,25)
InChIKeyYYTVYAGVNIBJND-UHFFFAOYSA-N
XLogP1.24
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea with MolForge

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Related Compounds

6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97326134
6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 100640353
2-[[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 155497522
2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 111103334
11-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163087170
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-propylsulfonylpyrrolidine-2-carboxylate
CID 55477076
6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9254526
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8709358
7-[(3-hydroxypiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47103117
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254707
7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60638725

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea (CID 167829459) is 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea is Cc1cccc2nc(CN3CCCC(NC(=O)N(C)C)C3)cc(=O)n12.
What is the InChIKey of 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea?
The InChIKey is YYTVYAGVNIBJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-6-4-8-16-19-15(10-17(24)23(13)16)12-22-9-5-7-14(11-22)20-18(25)21(2)3/h4,6,8,10,14H,5,7,9,11-12H2,1-3H3,(H,20,25).
What are the key properties of 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea?
1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea has a molecular weight of 343.43 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea is sourced from PubChem (CID 167829459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).