4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H26N2O5 — CID 122024211

IUPAC4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1C
InChIInChI=1S/C16H26N2O5/c1-10-9-18(8-7-13(10)15(21)23-2)16(22)17-12-5-3-11(4-6-12)14(19)20/h10-13H,3-9H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyVJZMZWNWNYEEAN-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.47
Rot. Bonds3

About 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122024211) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122024211
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1C
InChIInChI=1S/C16H26N2O5/c1-10-9-18(8-7-13(10)15(21)23-2)16(22)17-12-5-3-11(4-6-12)14(19)20/h10-13H,3-9H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyVJZMZWNWNYEEAN-UHFFFAOYSA-N
XLogP1.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
4-[[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023992
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
N-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114501609
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 106587983
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810
4-[[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024360
4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023327
3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 130516067

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122024211) is 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is COC(=O)C1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1C.
What is the InChIKey of 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VJZMZWNWNYEEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-10-9-18(8-7-13(10)15(21)23-2)16(22)17-12-5-3-11(4-6-12)14(19)20/h10-13H,3-9H2,1-2H3,(H,17,22)(H,19,20).
What are the key properties of 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).