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

C22H27ClN2O2 — CID 108811059

IUPAC3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCOc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-17-10-13-25(14-11-17)16-18-6-8-19(9-7-18)24-22(26)12-15-27-21-5-3-2-4-20(21)23/h2-9,17H,10-16H2,1H3,(H,24,26)
InChIKeyFJLMJQCBPUYIMB-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.98
Rot. Bonds7

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

3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 108811059) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
PubChem CID108811059
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCOc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-17-10-13-25(14-11-17)16-18-6-8-19(9-7-18)24-22(26)12-15-27-21-5-3-2-4-20(21)23/h2-9,17H,10-16H2,1H3,(H,24,26)
InChIKeyFJLMJQCBPUYIMB-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762073
4-(2-chlorophenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 108766064
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 108802305
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112970683
4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 120595204

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (CID 108811059) is 3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is CC1CCN(Cc2ccc(NC(=O)CCOc3ccccc3Cl)cc2)CC1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is FJLMJQCBPUYIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-17-10-13-25(14-11-17)16-18-6-8-19(9-7-18)24-22(26)12-15-27-21-5-3-2-4-20(21)23/h2-9,17H,10-16H2,1H3,(H,24,26).
What are the key properties of 3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 386.92 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 108811059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).