1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid

C19H26N2O3 — CID 131653797

IUPAC1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(N2CCCC2)CCN1C(=O)CCc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-18(9-8-15-6-2-1-3-7-15)21-13-10-16(14-17(21)19(23)24)20-11-4-5-12-20/h1-3,6-7,16-17H,4-5,8-14H2,(H,23,24)
InChIKeyLHBBUBQNLJBXSK-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.16
Rot. Bonds5

About 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid

1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid (PubChem CID 131653797) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
PubChem CID131653797
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(N2CCCC2)CCN1C(=O)CCc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-18(9-8-15-6-2-1-3-7-15)21-13-10-16(14-17(21)19(23)24)20-11-4-5-12-20/h1-3,6-7,16-17H,4-5,8-14H2,(H,23,24)
InChIKeyLHBBUBQNLJBXSK-UHFFFAOYSA-N
XLogP2.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2S,4S)-1-phenylmethoxycarbonyl-4-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 70469193
4-methyl-1-[3-(4-methylphenyl)propanoyl]piperidine-2-carboxylic acid
CID 114421761
1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 167778785
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
(2S,4R)-4-pyrrolidin-1-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 97391111
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 50975830
(2S)-1-[3-(2-phenylethyldisulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54508077
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid (CID 131653797) is 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid is O=C(O)C1CC(N2CCCC2)CCN1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid?
The InChIKey is LHBBUBQNLJBXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(9-8-15-6-2-1-3-7-15)21-13-10-16(14-17(21)19(23)24)20-11-4-5-12-20/h1-3,6-7,16-17H,4-5,8-14H2,(H,23,24).
What are the key properties of 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid?
1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropanoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 131653797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).