2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide

C22H27ClN2O3 — CID 56551881

IUPAC2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-16(28-21-4-2-3-19(23)13-21)22(27)24-14-17-5-7-18(8-6-17)15-25-11-9-20(26)10-12-25/h2-8,13,16,20,26H,9-12,14-15H2,1H3,(H,24,27)
InChIKeyOEZZYWQSUHUSBI-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.38
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide

2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 56551881) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID56551881
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-16(28-21-4-2-3-19(23)13-21)22(27)24-14-17-5-7-18(8-6-17)15-25-11-9-20(26)10-12-25/h2-8,13,16,20,26H,9-12,14-15H2,1H3,(H,24,27)
InChIKeyOEZZYWQSUHUSBI-UHFFFAOYSA-N
XLogP3.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55728053
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
(2S)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675494
(2R)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675493
(2R)-2-ethoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 95150276
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28636872
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46632597
5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide
CID 56552188

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 56551881) is 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is OEZZYWQSUHUSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-16(28-21-4-2-3-19(23)13-21)22(27)24-14-17-5-7-18(8-6-17)15-25-11-9-20(26)10-12-25/h2-8,13,16,20,26H,9-12,14-15H2,1H3,(H,24,27).
What are the key properties of 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 402.92 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 56551881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).