4-methyl-1-pentanoylpiperidine-4-carboxylic acid

C12H21NO3 — CID 63123206

IUPAC4-methyl-1-pentanoylpiperidine-4-carboxylic acid
SMILESCCCCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-3-4-5-10(14)13-8-6-12(2,7-9-13)11(15)16/h3-9H2,1-2H3,(H,15,16)
InChIKeyBZDKUZMYWADCRZ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds4

About 4-methyl-1-pentanoylpiperidine-4-carboxylic acid

4-methyl-1-pentanoylpiperidine-4-carboxylic acid (PubChem CID 63123206) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-methyl-1-pentanoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-pentanoylpiperidine-4-carboxylic acid
PubChem CID63123206
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-methyl-1-pentanoylpiperidine-4-carboxylic acid
SMILESCCCCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-3-4-5-10(14)13-8-6-12(2,7-9-13)11(15)16/h3-9H2,1-2H3,(H,15,16)
InChIKeyBZDKUZMYWADCRZ-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-aminoheptanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123998
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid
CID 113354340
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
1-[4-(hydroxymethyl)-4-methylazepan-1-yl]pentan-1-one
CID 175951578
4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid
CID 63123464
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
CID 80707384
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid
CID 103932837
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentanoylpiperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-pentanoylpiperidine-4-carboxylic acid (CID 63123206) is 4-methyl-1-pentanoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-pentanoylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-pentanoylpiperidine-4-carboxylic acid is CCCCC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-pentanoylpiperidine-4-carboxylic acid?
The InChIKey is BZDKUZMYWADCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-4-5-10(14)13-8-6-12(2,7-9-13)11(15)16/h3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-pentanoylpiperidine-4-carboxylic acid?
4-methyl-1-pentanoylpiperidine-4-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentanoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).