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

C21H35N5O — CID 70721055

IUPAC2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C21H35N5O/c1-2-26-19(16-24-11-5-6-12-24)22-23-21(26)18-9-13-25(14-10-18)20(27)15-17-7-3-4-8-17/h17-18H,2-16H2,1H3
InChIKeyTUSSMWVXRVKPII-UHFFFAOYSA-N
MW373.55 g/mol
LogP3.18
Rot. Bonds6

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

2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 70721055) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID70721055
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C21H35N5O/c1-2-26-19(16-24-11-5-6-12-24)22-23-21(26)18-9-13-25(14-10-18)20(27)15-17-7-3-4-8-17/h17-18H,2-16H2,1H3
InChIKeyTUSSMWVXRVKPII-UHFFFAOYSA-N
XLogP3.18
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 70721055) is 2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is TUSSMWVXRVKPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-2-26-19(16-24-11-5-6-12-24)22-23-21(26)18-9-13-25(14-10-18)20(27)15-17-7-3-4-8-17/h17-18H,2-16H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 373.55 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70721055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).