4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide

C25H31N3O3 — CID 55745478

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C25H31N3O3/c1-19-5-3-6-21(15-19)18-28-12-10-22(11-13-28)27-25(29)7-4-14-31-23-9-8-20(17-26)16-24(23)30-2/h3,5-6,8-9,15-16,22H,4,7,10-14,18H2,1-2H3,(H,27,29)
InChIKeyLPHDKIFUQNJMGX-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.82
Rot. Bonds9

About 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide

4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide (PubChem CID 55745478) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide
PubChem CID55745478
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C25H31N3O3/c1-19-5-3-6-21(15-19)18-28-12-10-22(11-13-28)27-25(29)7-4-14-31-23-9-8-20(17-26)16-24(23)30-2/h3,5-6,8-9,15-16,22H,4,7,10-14,18H2,1-2H3,(H,27,29)
InChIKeyLPHDKIFUQNJMGX-UHFFFAOYSA-N
XLogP3.82
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 51173931
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844
4-[4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile
CID 46471092
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
CID 48585204
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]prop-2-enamide
CID 94717552
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide
CID 56502865
1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 24730757

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide (CID 55745478) is 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide is COc1cc(C#N)ccc1OCCCC(=O)NC1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide?
The InChIKey is LPHDKIFUQNJMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-19-5-3-6-21(15-19)18-28-12-10-22(11-13-28)27-25(29)7-4-14-31-23-9-8-20(17-26)16-24(23)30-2/h3,5-6,8-9,15-16,22H,4,7,10-14,18H2,1-2H3,(H,27,29).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide has a molecular weight of 421.54 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 55745478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).