7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C26H36N4 — CID 24931513

IUPAC7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(CN2CCC(CN3CCc4cnc(C5CCCCC5)nc4C3)CC2)cc1
InChIInChI=1S/C26H36N4/c1-3-7-21(8-4-1)18-29-14-11-22(12-15-29)19-30-16-13-24-17-27-26(28-25(24)20-30)23-9-5-2-6-10-23/h1,3-4,7-8,17,22-23H,2,5-6,9-16,18-20H2
InChIKeyYNICBWWJNOWWDE-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.79
Rot. Bonds5

About 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931513) has the molecular formula C26H36N4 and a molecular weight of 404.60 g/mol. Its IUPAC name is 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24931513
Molecular FormulaC26H36N4
Molecular Weight404.60 g/mol
Exact Mass404.29
IUPAC Name7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(CN2CCC(CN3CCc4cnc(C5CCCCC5)nc4C3)CC2)cc1
InChIInChI=1S/C26H36N4/c1-3-7-21(8-4-1)18-29-14-11-22(12-15-29)19-30-16-13-24-17-27-26(28-25(24)20-30)23-9-5-2-6-10-23/h1,3-4,7-8,17,22-23H,2,5-6,9-16,18-20H2
InChIKeyYNICBWWJNOWWDE-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930292
7-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931195
2-[(2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930355
2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930610
methyl 3-[(2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate
CID 24930232
2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930526
6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110241435
2-cyclopropyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931636
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
2-(4-chlorophenyl)-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930464
7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930470

Frequently Asked Questions

What is the IUPAC name of 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931513) is 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1ccc(CN2CCC(CN3CCc4cnc(C5CCCCC5)nc4C3)CC2)cc1.
What is the InChIKey of 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is YNICBWWJNOWWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4/c1-3-7-21(8-4-1)18-29-14-11-22(12-15-29)19-30-16-13-24-17-27-26(28-25(24)20-30)23-9-5-2-6-10-23/h1,3-4,7-8,17,22-23H,2,5-6,9-16,18-20H2.
What are the key properties of 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 404.60 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).