1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid

C21H30N2O3 — CID 119349611

IUPAC1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCC(C(=O)N1CCC(C(=O)O)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H30N2O3/c1-16(20(24)23-13-9-19(10-14-23)21(25)26)22-11-7-18(8-12-22)15-17-5-3-2-4-6-17/h2-6,16,18-19H,7-15H2,1H3,(H,25,26)
InChIKeyDLINHDJAUQKJAJ-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.65
Rot. Bonds5

About 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid

1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 119349611) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID119349611
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCC(C(=O)N1CCC(C(=O)O)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H30N2O3/c1-16(20(24)23-13-9-19(10-14-23)21(25)26)22-11-7-18(8-12-22)15-17-5-3-2-4-6-17/h2-6,16,18-19H,7-15H2,1H3,(H,25,26)
InChIKeyDLINHDJAUQKJAJ-UHFFFAOYSA-N
XLogP2.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
(3R)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 100840635
1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 55832301
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9445663
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901
2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023755
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 34894788
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540343
1-[2-(4-benzylpiperidin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356295

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 119349611) is 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid is CC(C(=O)N1CCC(C(=O)O)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is DLINHDJAUQKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16(20(24)23-13-9-19(10-14-23)21(25)26)22-11-7-18(8-12-22)15-17-5-3-2-4-6-17/h2-6,16,18-19H,7-15H2,1H3,(H,25,26).
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid?
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 358.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).