2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

C22H27ClN2O2 — CID 133189350

IUPAC2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C22H27ClN2O2/c1-17(27-21-11-4-3-10-20(21)23)22(26)24-15-18-8-7-9-19(14-18)16-25-12-5-2-6-13-25/h3-4,7-11,14,17H,2,5-6,12-13,15-16H2,1H3,(H,24,26)
InChIKeyXINQRKNUXHDIEK-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.41
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 133189350) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID133189350
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C22H27ClN2O2/c1-17(27-21-11-4-3-10-20(21)23)22(26)24-15-18-8-7-9-19(14-18)16-25-12-5-2-6-13-25/h3-4,7-11,14,17H,2,5-6,12-13,15-16H2,1H3,(H,24,26)
InChIKeyXINQRKNUXHDIEK-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94099373
2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189337
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190446
2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767407
2-(2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 46767921
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626689
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (CID 133189350) is 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is CC(Oc1ccccc1Cl)C(=O)NCc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is XINQRKNUXHDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-17(27-21-11-4-3-10-20(21)23)22(26)24-15-18-8-7-9-19(14-18)16-25-12-5-2-6-13-25/h3-4,7-11,14,17H,2,5-6,12-13,15-16H2,1H3,(H,24,26).
What are the key properties of 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 386.92 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 133189350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).