cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone

C17H24N4O — CID 92567903

IUPACcyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C17H24N4O/c22-17(13-2-1-3-13)21-8-5-12(6-9-21)16-19-11-14-10-18-7-4-15(14)20-16/h11-13,18H,1-10H2
InChIKeyDFDUCNXXQNJJBO-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.63
Rot. Bonds2

About cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone

cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 92567903) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID92567903
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Namecyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C17H24N4O/c22-17(13-2-1-3-13)21-8-5-12(6-9-21)16-19-11-14-10-18-7-4-15(14)20-16/h11-13,18H,1-10H2
InChIKeyDFDUCNXXQNJJBO-UHFFFAOYSA-N
XLogP1.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclobutylmethanone
CID 89752448
[(6R)-6-methyl-2-[[(3S)-piperidin-3-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(trifluoromethyl)piperidin-4-yl]methanone
CID 163200296
[(3S,4R)-1,3-dimethylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 163200297
[(3R,4S)-1,3-dimethylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 163200298
N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]cyclopropanecarboxamide
CID 45230277
N-[2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53502292
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 56802043
7-{[2-(ethylamino)-5-pyrimidinyl]carbonyl}-N,N,2-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56886518
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 72140272
2-Cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 92567905
3-Cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 92567906
2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92567924

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone (CID 92567903) is cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1.
What is the InChIKey of cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is DFDUCNXXQNJJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-17(13-2-1-3-13)21-8-5-12(6-9-21)16-19-11-14-10-18-7-4-15(14)20-16/h11-13,18H,1-10H2.
What are the key properties of cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone?
cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 300.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92567903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).