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

C18H29N7 — CID 72842730

IUPAC1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(Cn2cncn2)nnc1C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C18H29N7/c1-2-25-17(12-24-14-19-13-20-24)21-22-18(25)16-7-9-23(10-8-16)11-15-5-3-4-6-15/h13-16H,2-12H2,1H3
InChIKeyHTIPBASRDWQGIO-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.31
Rot. Bonds6

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

1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 72842730) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID72842730
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(Cn2cncn2)nnc1C1CCN(CC2CCCC2)CC1
InChIInChI=1S/C18H29N7/c1-2-25-17(12-24-14-19-13-20-24)21-22-18(25)16-7-9-23(10-8-16)11-15-5-3-4-6-15/h13-16H,2-12H2,1H3
InChIKeyHTIPBASRDWQGIO-UHFFFAOYSA-N
XLogP2.31
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.31
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-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 72842730) is 1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is CCn1c(Cn2cncn2)nnc1C1CCN(CC2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is HTIPBASRDWQGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-2-25-17(12-24-14-19-13-20-24)21-22-18(25)16-7-9-23(10-8-16)11-15-5-3-4-6-15/h13-16H,2-12H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 343.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72842730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).