1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid

C15H25NO3 — CID 119167914

IUPAC1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
SMILESCC1CCCC(CC(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C15H25NO3/c1-11-4-2-5-12(8-11)9-14(17)16-7-3-6-13(10-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyULHLHHOOICARBY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds3

About 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid

1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 119167914) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
PubChem CID119167914
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
SMILESCC1CCCC(CC(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C15H25NO3/c1-11-4-2-5-12(8-11)9-14(17)16-7-3-6-13(10-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyULHLHHOOICARBY-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 110837419
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone
CID 119380103
3-methyl-1-[2-(3-methylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257576
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(2S,3S)-2-methyl-1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 122115737
1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid
CID 122118851
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
2-[(1R,3R)-3-methylcyclohexyl]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 129370373
1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
CID 103163717
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid (CID 119167914) is 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid is CC1CCCC(CC(=O)N2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is ULHLHHOOICARBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-4-2-5-12(8-11)9-14(17)16-7-3-6-13(10-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid?
1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).