2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

C19H35N3O — CID 71784724

IUPAC2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC1CN(C)CCN1CC1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C19H35N3O/c1-16-14-20(2)11-12-22(16)15-18-7-9-21(10-8-18)19(23)13-17-5-3-4-6-17/h16-18H,3-15H2,1-2H3
InChIKeyANWKGKXDMDSXKG-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.44
Rot. Bonds4

About 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 71784724) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID71784724
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC1CN(C)CCN1CC1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C19H35N3O/c1-16-14-20(2)11-12-22(16)15-18-7-9-21(10-8-18)19(23)13-17-5-3-4-6-17/h16-18H,3-15H2,1-2H3
InChIKeyANWKGKXDMDSXKG-UHFFFAOYSA-N
XLogP2.44
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (CID 71784724) is 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is CC1CN(C)CCN1CC1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is ANWKGKXDMDSXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-16-14-20(2)11-12-22(16)15-18-7-9-21(10-8-18)19(23)13-17-5-3-4-6-17/h16-18H,3-15H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 321.51 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71784724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).