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

C19H33N5 — CID 70732195

IUPAC1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H33N5/c1-2-24-18(15-22-11-5-6-12-22)20-21-19(24)16-9-13-23(14-10-16)17-7-3-4-8-17/h16-17H,2-15H2,1H3
InChIKeyREDAXIFXJHZJEL-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.02
Rot. Bonds5

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

1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 70732195) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID70732195
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H33N5/c1-2-24-18(15-22-11-5-6-12-22)20-21-19(24)16-9-13-23(14-10-16)17-7-3-4-8-17/h16-17H,2-15H2,1H3
InChIKeyREDAXIFXJHZJEL-UHFFFAOYSA-N
XLogP3.02
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 70732195) is 1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is CCn1c(CN2CCCC2)nnc1C1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is REDAXIFXJHZJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-2-24-18(15-22-11-5-6-12-22)20-21-19(24)16-9-13-23(14-10-16)17-7-3-4-8-17/h16-17H,2-15H2,1H3.
What are the key properties of 1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 331.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 70732195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).