4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide

C24H32N2O2 — CID 108762064

IUPAC4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESCc1cccc(C)c1OCCCC(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-19-8-6-9-20(2)24(19)28-17-7-10-23(27)25-22-13-11-21(12-14-22)18-26-15-4-3-5-16-26/h6,8-9,11-14H,3-5,7,10,15-18H2,1-2H3,(H,25,27)
InChIKeyJCXWAVDQWMIWIY-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.09
Rot. Bonds8

About 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide

4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide (PubChem CID 108762064) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
PubChem CID108762064
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESCc1cccc(C)c1OCCCC(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-19-8-6-9-20(2)24(19)28-17-7-10-23(27)25-22-13-11-21(12-14-22)18-26-15-4-3-5-16-26/h6,8-9,11-14H,3-5,7,10,15-18H2,1-2H3,(H,25,27)
InChIKeyJCXWAVDQWMIWIY-UHFFFAOYSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.09
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-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762073
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739321
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
4-(2-chlorophenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 108766064
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
2-naphthalen-1-yloxy-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 3312862
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
2-(4-chloro-3-methylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 2197171
2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 925596

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide (CID 108762064) is 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide is Cc1cccc(C)c1OCCCC(=O)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The InChIKey is JCXWAVDQWMIWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19-8-6-9-20(2)24(19)28-17-7-10-23(27)25-22-13-11-21(12-14-22)18-26-15-4-3-5-16-26/h6,8-9,11-14H,3-5,7,10,15-18H2,1-2H3,(H,25,27).
What are the key properties of 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide has a molecular weight of 380.53 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 108762064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).