2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

C22H28N2O2 — CID 51237843

IUPAC2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C22H28N2O2/c1-18(26-21-12-4-2-5-13-21)22(25)23-16-19-10-6-7-11-20(19)17-24-14-8-3-9-15-24/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3,(H,23,25)
InChIKeyJNTPLIBSPYANAX-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.76
Rot. Bonds7

About 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 51237843) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID51237843
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C22H28N2O2/c1-18(26-21-12-4-2-5-13-21)22(25)23-16-19-10-6-7-11-20(19)17-24-14-8-3-9-15-24/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3,(H,23,25)
InChIKeyJNTPLIBSPYANAX-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51327763
(2R)-2-(4-fluorophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31644449
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133187825
(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94099373
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
2-(4-methoxyphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767803
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
3-amino-2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 120502633
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 9142893

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (CID 51237843) is 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is CC(Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is JNTPLIBSPYANAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18(26-21-12-4-2-5-13-21)22(25)23-16-19-10-6-7-11-20(19)17-24-14-8-3-9-15-24/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3,(H,23,25).
What are the key properties of 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 51237843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).