1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid

C20H28N2O4 — CID 119168339

IUPAC1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCCCNC(=O)CCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H28N2O4/c1-2-13-21-17(23)9-6-10-18(24)22-14-11-20(12-15-22,19(25)26)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3,(H,21,23)(H,25,26)
InChIKeyWPXMVLOBQPDUPC-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.33
Rot. Bonds8

About 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid

1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119168339) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID119168339
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCCCNC(=O)CCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H28N2O4/c1-2-13-21-17(23)9-6-10-18(24)22-14-11-20(12-15-22,19(25)26)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3,(H,21,23)(H,25,26)
InChIKeyWPXMVLOBQPDUPC-UHFFFAOYSA-N
XLogP2.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168522
5-oxo-5-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-N-propylpentanamide
CID 75463637
N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide
CID 10005478
1-(2-butoxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168313
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 22241002
5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide
CID 120747868
1-[4-(4-methylphenyl)-4-oxobutanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168142
ethyl 1-[(Z)-octadec-9-enoyl]-4-phenylpiperidine-4-carboxylate
CID 70387140
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 120806330

Frequently Asked Questions

What is the IUPAC name of 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid (CID 119168339) is 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid is CCCNC(=O)CCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is WPXMVLOBQPDUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-13-21-17(23)9-6-10-18(24)22-14-11-20(12-15-22,19(25)26)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid?
1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119168339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).