1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid

C16H27NO3 — CID 115924013

IUPAC1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CC2CCCCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-16(15(19)20)8-10-17(11-9-16)14(18)12-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,19,20)
InChIKeyDITNVIIKLNVTHH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds3

About 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid

1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 115924013) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID115924013
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CC2CCCCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-16(15(19)20)8-10-17(11-9-16)14(18)12-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,19,20)
InChIKeyDITNVIIKLNVTHH-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[2-(thian-4-yl)acetyl]piperidine-4-carboxylic acid
CID 83145290
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123918
2-cyclopentyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304327
3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257576
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-cyclobutyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103165081
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 168882694
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120805178
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid (CID 115924013) is 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)CC2CCCCCC2)CC1.
What is the InChIKey of 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is DITNVIIKLNVTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(15(19)20)8-10-17(11-9-16)14(18)12-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 115924013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).