1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 63131743

IUPAC1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)NC2(C(=O)O)CCCCC2)CCCNC1
InChIInChI=1S/C15H26N2O3/c1-2-14(7-6-10-16-11-14)12(18)17-15(13(19)20)8-4-3-5-9-15/h16H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyZRUUTCDTMABASW-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds4

About 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63131743) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63131743
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)NC2(C(=O)O)CCCCC2)CCCNC1
InChIInChI=1S/C15H26N2O3/c1-2-14(7-6-10-16-11-14)12(18)17-15(13(19)20)8-4-3-5-9-15/h16H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyZRUUTCDTMABASW-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63128909
1-[(4-ethylpiperidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161885
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
N-cyano-3-ethylpiperidine-3-carboxamide
CID 79194202
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
3-ethyl-N-methylsulfonylpiperidine-3-carboxamide
CID 103287680
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439984
3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
CID 82724450
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63128781

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63131743) is 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1(C(=O)NC2(C(=O)O)CCCCC2)CCCNC1.
What is the InChIKey of 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZRUUTCDTMABASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-14(7-6-10-16-11-14)12(18)17-15(13(19)20)8-4-3-5-9-15/h16H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63131743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).