1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid

C15H23NO3 — CID 122083654

IUPAC1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1C2CCCCC21
InChIInChI=1S/C15H23NO3/c1-9-6-7-10(15(18)19)8-16(9)14(17)13-11-4-2-3-5-12(11)13/h9-13H,2-8H2,1H3,(H,18,19)
InChIKeyCFLBPBVSKDGDET-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.13
Rot. Bonds2

About 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083654) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122083654
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1C2CCCCC21
InChIInChI=1S/C15H23NO3/c1-9-6-7-10(15(18)19)8-16(9)14(17)13-11-4-2-3-5-12(11)13/h9-13H,2-8H2,1H3,(H,18,19)
InChIKeyCFLBPBVSKDGDET-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113722
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640
3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550866
1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112709
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122112962
cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
CID 145040393
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113476
1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113428
6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122083544

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122083654) is 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)C1C2CCCCC21.
What is the InChIKey of 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is CFLBPBVSKDGDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-6-7-10(15(18)19)8-16(9)14(17)13-11-4-2-3-5-12(11)13/h9-13H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).