N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

C20H29N7O — CID 42194544

IUPACN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cn(CCN3CCCCC3)nn2)nc2c1CCC2
InChIInChI=1S/C20H29N7O/c1-15-16-6-5-7-17(16)23-19(22-15)8-9-21-20(28)18-14-27(25-24-18)13-12-26-10-3-2-4-11-26/h14H,2-13H2,1H3,(H,21,28)
InChIKeyWBKACJSNHHQPDN-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.32
Rot. Bonds7

About N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (PubChem CID 42194544) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
PubChem CID42194544
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cn(CCN3CCCCC3)nn2)nc2c1CCC2
InChIInChI=1S/C20H29N7O/c1-15-16-6-5-7-17(16)23-19(22-15)8-9-21-20(28)18-14-27(25-24-18)13-12-26-10-3-2-4-11-26/h14H,2-13H2,1H3,(H,21,28)
InChIKeyWBKACJSNHHQPDN-UHFFFAOYSA-N
XLogP1.32
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (CID 42194544) is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is Cc1nc(CCNC(=O)c2cn(CCN3CCCCC3)nn2)nc2c1CCC2.
What is the InChIKey of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is WBKACJSNHHQPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-15-16-6-5-7-17(16)23-19(22-15)8-9-21-20(28)18-14-27(25-24-18)13-12-26-10-3-2-4-11-26/h14H,2-13H2,1H3,(H,21,28).
What are the key properties of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 42194544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).