6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid

C16H29NO4 — CID 122113402

IUPAC6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid
SMILESCC(C)CC(C)OCCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C16H29NO4/c1-11(2)9-13(4)21-8-7-15(18)17-10-14(16(19)20)6-5-12(17)3/h11-14H,5-10H2,1-4H3,(H,19,20)
InChIKeyLCWMGLCPDJBMGO-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.54
Rot. Bonds7

About 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid

6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid (PubChem CID 122113402) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid
PubChem CID122113402
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid
SMILESCC(C)CC(C)OCCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C16H29NO4/c1-11(2)9-13(4)21-8-7-15(18)17-10-14(16(19)20)6-5-12(17)3/h11-14H,5-10H2,1-4H3,(H,19,20)
InChIKeyLCWMGLCPDJBMGO-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122083544
6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid
CID 122113639
1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083922
1-[2-(cyclopropylmethoxy)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113926
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119469367
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one
CID 71856930
1-[3-(4-fluorophenyl)sulfanylpropanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083841
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119634234
1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113995
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
6-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 122114466

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid (CID 122113402) is 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid is CC(C)CC(C)OCCC(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is LCWMGLCPDJBMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-11(2)9-13(4)21-8-7-15(18)17-10-14(16(19)20)6-5-12(17)3/h11-14H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid?
6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122113402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).