1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid

C17H22N2O5 — CID 119251493

IUPAC1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(=O)NC(CC(=O)N1CCC(O)(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C17H22N2O5/c1-12(20)18-14(13-5-3-2-4-6-13)11-15(21)19-9-7-17(24,8-10-19)16(22)23/h2-6,14,24H,7-11H2,1H3,(H,18,20)(H,22,23)
InChIKeySSPPTBHVQSFBFC-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.69
Rot. Bonds5

About 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid

1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251493) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251493
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(=O)NC(CC(=O)N1CCC(O)(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C17H22N2O5/c1-12(20)18-14(13-5-3-2-4-6-13)11-15(21)19-9-7-17(24,8-10-19)16(22)23/h2-6,14,24H,7-11H2,1H3,(H,18,20)(H,22,23)
InChIKeySSPPTBHVQSFBFC-UHFFFAOYSA-N
XLogP0.69
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
N-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 86933017
1-[3-acetamido-3-(4-methylphenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258935
N-[3-oxo-1-phenyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propyl]acetamide
CID 86989923
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
N-[(1R)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 41154962
N-[(1S)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]acetamide
CID 9226133
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136
N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 51194749

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251493) is 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid is CC(=O)NC(CC(=O)N1CCC(O)(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is SSPPTBHVQSFBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-12(20)18-14(13-5-3-2-4-6-13)11-15(21)19-9-7-17(24,8-10-19)16(22)23/h2-6,14,24H,7-11H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).