1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 43578322

IUPAC1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN1CCC(N(C)C(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-18-10-6-13(7-11-18)17(2)14(19)12-16(15(20)21)8-4-5-9-16/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyBDHIJYRRPDNOEW-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43578322) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43578322
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN1CCC(N(C)C(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-18-10-6-13(7-11-18)17(2)14(19)12-16(15(20)21)8-4-5-9-16/h13H,3-12H2,1-2H3,(H,20,21)
InChIKeyBDHIJYRRPDNOEW-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43578322) is 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCN1CCC(N(C)C(=O)CC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is BDHIJYRRPDNOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-18-10-6-13(7-11-18)17(2)14(19)12-16(15(20)21)8-4-5-9-16/h13H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43578322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).