1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 61190558

IUPAC1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)CN(C(=O)NC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11-8-12(2)10-17(9-11)14(20)16-15(13(18)19)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHSKDNBBDOLJGQU-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds2

About 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61190558) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61190558
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)CN(C(=O)NC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11-8-12(2)10-17(9-11)14(20)16-15(13(18)19)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHSKDNBBDOLJGQU-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104959558
1-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63615527
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107405645
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
1-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61405040
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290338
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61190558) is 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CC(C)CN(C(=O)NC2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HSKDNBBDOLJGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-8-12(2)10-17(9-11)14(20)16-15(13(18)19)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61190558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).