2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone

C20H33N3O — CID 91911691

IUPAC2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCCCn1c(C)cnc1CC1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C20H33N3O/c1-3-10-23-16(2)14-21-19(23)12-18-9-6-11-22(15-18)20(24)13-17-7-4-5-8-17/h14,17-18H,3-13,15H2,1-2H3
InChIKeyBBCJWTSEHRMNTK-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.96
Rot. Bonds6

About 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 91911691) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID91911691
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCCCn1c(C)cnc1CC1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C20H33N3O/c1-3-10-23-16(2)14-21-19(23)12-18-9-6-11-22(15-18)20(24)13-17-7-4-5-8-17/h14,17-18H,3-13,15H2,1-2H3
InChIKeyBBCJWTSEHRMNTK-UHFFFAOYSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone (CID 91911691) is 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone is CCCn1c(C)cnc1CC1CCCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is BBCJWTSEHRMNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-10-23-16(2)14-21-19(23)12-18-9-6-11-22(15-18)20(24)13-17-7-4-5-8-17/h14,17-18H,3-13,15H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 331.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91911691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).