4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

C27H35N7O — CID 134107688

IUPAC4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(NC3CCCC3)nc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C27H35N7O/c1-35-24-13-11-22(12-14-24)29-26-31-25(28-21-9-5-6-10-21)32-27(33-26)30-23-15-17-34(18-16-23)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,21,23H,5-6,9-10,15-19H2,1H3,(H3,28,29,30,31,32,33)
InChIKeyJDWZCJFOIFMERX-UHFFFAOYSA-N
MW473.63 g/mol
LogP5.05
Rot. Bonds9

About 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 134107688) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID134107688
Molecular FormulaC27H35N7O
Molecular Weight473.63 g/mol
Exact Mass473.29
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(NC3CCCC3)nc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C27H35N7O/c1-35-24-13-11-22(12-14-24)29-26-31-25(28-21-9-5-6-10-21)32-27(33-26)30-23-15-17-34(18-16-23)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,21,23H,5-6,9-10,15-19H2,1H3,(H3,28,29,30,31,32,33)
InChIKeyJDWZCJFOIFMERX-UHFFFAOYSA-N
XLogP5.05
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.63
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968
2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 134108561
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen
CID 157241752
N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-2-(4-methoxyphenyl)purin-6-amine
CID 117088891
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
CID 117088890
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 129304826
4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 686003

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (CID 134107688) is 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(NC3CCCC3)nc(NC3CCN(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JDWZCJFOIFMERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O/c1-35-24-13-11-22(12-14-24)29-26-31-25(28-21-9-5-6-10-21)32-27(33-26)30-23-15-17-34(18-16-23)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,21,23H,5-6,9-10,15-19H2,1H3,(H3,28,29,30,31,32,33).
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 473.63 g/mol, XLogP of 5.05, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134107688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).