1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 114515072

IUPAC1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN1CCC(CCNC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-18-10-5-13(6-11-18)4-9-17-14(19)12-16(15(20)21)7-2-3-8-16/h13H,2-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyXCIDZSRYKJISSD-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds6

About 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 114515072) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID114515072
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN1CCC(CCNC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-18-10-5-13(6-11-18)4-9-17-14(19)12-16(15(20)21)7-2-3-8-16/h13H,2-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyXCIDZSRYKJISSD-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865912
1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 54867602
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111618803
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
3-methyl-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114516429
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 114515072) is 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CN1CCC(CCNC(=O)CC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is XCIDZSRYKJISSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-18-10-5-13(6-11-18)4-9-17-14(19)12-16(15(20)21)7-2-3-8-16/h13H,2-12H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114515072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).