4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide

C22H27ClN2O2 — CID 108762073

IUPAC4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c23-20-7-2-3-8-21(20)27-16-6-9-22(26)24-19-12-10-18(11-13-19)17-25-14-4-1-5-15-25/h2-3,7-8,10-13H,1,4-6,9,14-17H2,(H,24,26)
InChIKeyXSJUPNSSYZDOPH-UHFFFAOYSA-N
MW386.92 g/mol
LogP5.12
Rot. Bonds8

About 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide

4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide (PubChem CID 108762073) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
PubChem CID108762073
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESO=C(CCCOc1ccccc1Cl)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c23-20-7-2-3-8-21(20)27-16-6-9-22(26)24-19-12-10-18(11-13-19)17-25-14-4-1-5-15-25/h2-3,7-8,10-13H,1,4-6,9,14-17H2,(H,24,26)
InChIKeyXSJUPNSSYZDOPH-UHFFFAOYSA-N
XLogP5.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 108766064
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762064
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 55778319
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
2-naphthalen-1-yloxy-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 3312862
2-(2,5-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 108762057
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739321
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide (CID 108762073) is 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide is O=C(CCCOc1ccccc1Cl)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The InChIKey is XSJUPNSSYZDOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c23-20-7-2-3-8-21(20)27-16-6-9-22(26)24-19-12-10-18(11-13-19)17-25-14-4-1-5-15-25/h2-3,7-8,10-13H,1,4-6,9,14-17H2,(H,24,26).
What are the key properties of 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide has a molecular weight of 386.92 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 108762073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).