N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C29H32N2O3 — CID 46410497

IUPACN-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1COc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C29H32N2O3/c32-28(16-15-23-9-3-1-4-10-23)31-19-17-24(18-20-31)29(33)30-21-25-11-7-8-12-26(25)22-34-27-13-5-2-6-14-27/h1-14,24H,15-22H2,(H,30,33)
InChIKeyDRTHWENAOSAGMF-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.75
Rot. Bonds9

About N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 46410497) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID46410497
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC NameN-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1COc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C29H32N2O3/c32-28(16-15-23-9-3-1-4-10-23)31-19-17-24(18-20-31)29(33)30-21-25-11-7-8-12-26(25)22-34-27-13-5-2-6-14-27/h1-14,24H,15-22H2,(H,30,33)
InChIKeyDRTHWENAOSAGMF-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113004370
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55762545
2-[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242488
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55800630

Frequently Asked Questions

What is the IUPAC name of N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 46410497) is N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is O=C(NCc1ccccc1COc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is DRTHWENAOSAGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c32-28(16-15-23-9-3-1-4-10-23)31-19-17-24(18-20-31)29(33)30-21-25-11-7-8-12-26(25)22-34-27-13-5-2-6-14-27/h1-14,24H,15-22H2,(H,30,33).
What are the key properties of N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 46410497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).