1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

C17H27N7 — CID 72906740

IUPAC1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCn1c(Cn2cncn2)nnc1C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C17H27N7/c1-22-16(11-24-13-18-12-19-24)20-21-17(22)15-6-8-23(9-7-15)10-14-4-2-3-5-14/h12-15H,2-11H2,1H3
InChIKeyVCUMMQCQZBWQII-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.82
Rot. Bonds5

About 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 72906740) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID72906740
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCn1c(Cn2cncn2)nnc1C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C17H27N7/c1-22-16(11-24-13-18-12-19-24)20-21-17(22)15-6-8-23(9-7-15)10-14-4-2-3-5-14/h12-15H,2-11H2,1H3
InChIKeyVCUMMQCQZBWQII-UHFFFAOYSA-N
XLogP1.82
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 72906740) is 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is Cn1c(Cn2cncn2)nnc1C1CCN(CC2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is VCUMMQCQZBWQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-22-16(11-24-13-18-12-19-24)20-21-17(22)15-6-8-23(9-7-15)10-14-4-2-3-5-14/h12-15H,2-11H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 329.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72906740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).