1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 61403575

IUPAC1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)CC1(C(=O)O)CCCCC1)C1CCNCC1
InChIInChI=1S/C16H28N2O3/c1-2-18(13-6-10-17-11-7-13)14(19)12-16(15(20)21)8-4-3-5-9-16/h13,17H,2-12H2,1H3,(H,20,21)
InChIKeyMHOBGQVFVMTCGP-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds5

About 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 61403575) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID61403575
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)CC1(C(=O)O)CCCCC1)C1CCNCC1
InChIInChI=1S/C16H28N2O3/c1-2-18(13-6-10-17-11-7-13)14(19)12-16(15(20)21)8-4-3-5-9-16/h13,17H,2-12H2,1H3,(H,20,21)
InChIKeyMHOBGQVFVMTCGP-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437222
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
N-ethyl-N-piperidin-4-ylpent-4-enamide
CID 62679497
2-[ethyl(piperidin-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113361053
4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299800
1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43578322
1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61448226
N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 107176121
1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249
3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63136382
2-cyclohexyl-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 60807538
1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60953891

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 61403575) is 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CCN(C(=O)CC1(C(=O)O)CCCCC1)C1CCNCC1.
What is the InChIKey of 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is MHOBGQVFVMTCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-18(13-6-10-17-11-7-13)14(19)12-16(15(20)21)8-4-3-5-9-16/h13,17H,2-12H2,1H3,(H,20,21).
What are the key properties of 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61403575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).