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

C15H26N2O4 — CID 107393937

IUPAC1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)NC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-14(21-2)7-6-10-17(11-14)13(20)16-15(12(18)19)8-4-3-5-9-15/h3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBTAISXPRIBBMHZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.98
Rot. Bonds3

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

1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 107393937) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID107393937
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)NC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-14(21-2)7-6-10-17(11-14)13(20)16-15(12(18)19)8-4-3-5-9-15/h3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBTAISXPRIBBMHZ-UHFFFAOYSA-N
XLogP1.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107394038
1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107405645
1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 63615862
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 107393953
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 107393924
3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107393967
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide
CID 107394432
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 107393937) is 1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is COC1(C)CCCN(C(=O)NC2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BTAISXPRIBBMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(21-2)7-6-10-17(11-14)13(20)16-15(12(18)19)8-4-3-5-9-15/h3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107393937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).