1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid

C17H29NO3 — CID 122119716

IUPAC1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCC(CC1CCCC1)C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H29NO3/c1-3-14(9-13-6-4-5-7-13)16(19)18-10-12(2)8-15(11-18)17(20)21/h12-15H,3-11H2,1-2H3,(H,20,21)
InChIKeyWDUUZXGNLRPWOO-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.16
Rot. Bonds5

About 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119716) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119716
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCC(CC1CCCC1)C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H29NO3/c1-3-14(9-13-6-4-5-7-13)16(19)18-10-12(2)8-15(11-18)17(20)21/h12-15H,3-11H2,1-2H3,(H,20,21)
InChIKeyWDUUZXGNLRPWOO-UHFFFAOYSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 95629673
2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644529
1-(2-ethylsulfanyl-3-methylbutanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119769
1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid
CID 122118851
2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119543004
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117274
4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
CID 119239386
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one
CID 120819076
5-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122117884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid (CID 122119716) is 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid is CCC(CC1CCCC1)C(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is WDUUZXGNLRPWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-3-14(9-13-6-4-5-7-13)16(19)18-10-12(2)8-15(11-18)17(20)21/h12-15H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).