N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide

C22H26N2O3 — CID 31588009

IUPACN-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CCc2ccccc2O)CC1
InChIInChI=1S/C22H26N2O3/c25-20-9-5-4-8-18(20)10-11-21(26)24-14-12-19(13-15-24)22(27)23-16-17-6-2-1-3-7-17/h1-9,19,25H,10-16H2,(H,23,27)
InChIKeyCFPXFXUFAHKZIG-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.88
Rot. Bonds6

About N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide

N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide (PubChem CID 31588009) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
PubChem CID31588009
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CCc2ccccc2O)CC1
InChIInChI=1S/C22H26N2O3/c25-20-9-5-4-8-18(20)10-11-21(26)24-14-12-19(13-15-24)22(27)23-16-17-6-2-1-3-7-17/h1-9,19,25H,10-16H2,(H,23,27)
InChIKeyCFPXFXUFAHKZIG-UHFFFAOYSA-N
XLogP2.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
CID 43409066
N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410497
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113004370
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide
CID 24516071
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119692936
N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide
CID 135104743

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide (CID 31588009) is N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)CCc2ccccc2O)CC1.
What is the InChIKey of N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is CFPXFXUFAHKZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-20-9-5-4-8-18(20)10-11-21(26)24-14-12-19(13-15-24)22(27)23-16-17-6-2-1-3-7-17/h1-9,19,25H,10-16H2,(H,23,27).
What are the key properties of N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide?
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 31588009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).