2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid

C17H29NO3 — CID 83198528

IUPAC2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-17(2,16(20)21)14-10-7-11-18(12-14)15(19)13-8-5-3-4-6-9-13/h13-14H,3-12H2,1-2H3,(H,20,21)
InChIKeyFRVPJYZJUUSIGG-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.31
Rot. Bonds3

About 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83198528) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83198528
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-17(2,16(20)21)14-10-7-11-18(12-14)15(19)13-8-5-3-4-6-9-13/h13-14H,3-12H2,1-2H3,(H,20,21)
InChIKeyFRVPJYZJUUSIGG-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197354
2-[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197641
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 75517092
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
2-methyl-2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83197741
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184
2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207
2-methyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)propanoic acid
CID 83198833

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83198528) is 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)C2CCCCCC2)C1.
What is the InChIKey of 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is FRVPJYZJUUSIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-17(2,16(20)21)14-10-7-11-18(12-14)15(19)13-8-5-3-4-6-9-13/h13-14H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 295.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83198528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).