1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid

C19H26N2O4 — CID 119168522

IUPAC1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCN(C)C(=O)CCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H26N2O4/c1-20(2)16(22)9-6-10-17(23)21-13-11-19(12-14-21,18(24)25)15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H,24,25)
InChIKeyQEMSAWMHWZTEJE-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.89
Rot. Bonds6

About 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid

1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119168522) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID119168522
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCN(C)C(=O)CCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H26N2O4/c1-20(2)16(22)9-6-10-17(23)21-13-11-19(12-14-21,18(24)25)15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H,24,25)
InChIKeyQEMSAWMHWZTEJE-UHFFFAOYSA-N
XLogP1.89
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168339
1-[4-(4-methylphenyl)-4-oxobutanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168142
1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
1-(2-butoxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168313
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
(3S)-3-phenyl-1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 125166682
4-phenyl-1-prop-2-ynoylpiperidine-4-carboxylic acid
CID 54982791
ethyl 1-[(Z)-octadec-9-enoyl]-4-phenylpiperidine-4-carboxylate
CID 70387140
1-[2-(N-methyl-2-nitroanilino)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168487
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid (CID 119168522) is 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid is CN(C)C(=O)CCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is QEMSAWMHWZTEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-20(2)16(22)9-6-10-17(23)21-13-11-19(12-14-21,18(24)25)15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H,24,25).
What are the key properties of 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid?
1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119168522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).