2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C20H35N3O3 — CID 24719833

IUPAC2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCN(C(C(=O)N2CCCCC2C)C2CCCC2)CC1
InChIInChI=1S/C20H35N3O3/c1-16-7-5-6-10-23(16)20(25)19(17-8-3-4-9-17)22-13-11-21(12-14-22)18(24)15-26-2/h16-17,19H,3-15H2,1-2H3
InChIKeyPILVNBKYCNKVMY-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.74
Rot. Bonds5

About 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 24719833) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID24719833
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCN(C(C(=O)N2CCCCC2C)C2CCCC2)CC1
InChIInChI=1S/C20H35N3O3/c1-16-7-5-6-10-23(16)20(25)19(17-8-3-4-9-17)22-13-11-21(12-14-22)18(24)15-26-2/h16-17,19H,3-15H2,1-2H3
InChIKeyPILVNBKYCNKVMY-UHFFFAOYSA-N
XLogP1.74
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-Cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 24719804
1-[4-(1-Cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 24719813
1-[4-(1-Cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 24719814
1-[4-[1-Cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 24719829
1-[4-[1-Cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24719854
2-[4-(Cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-1-morpholin-4-ylethanone
CID 46023967
2-Cyclopentyl-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-YL]ethan-1-one
CID 124075203
2-Cyclopentyl-1-[2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 124075233
4-[1-[1-(Cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134796562
ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate
CID 30852003
Ethyl 4-[1-(2-cyclopentylacetyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45168262
2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 24719273

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 24719833) is 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is COCC(=O)N1CCN(C(C(=O)N2CCCCC2C)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is PILVNBKYCNKVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-16-7-5-6-10-23(16)20(25)19(17-8-3-4-9-17)22-13-11-21(12-14-22)18(24)15-26-2/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 365.52 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 24719833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).