N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide

C27H27N3O4 — CID 24733705

IUPACN-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide
SMILESCOc1ccc(OC)c(-c2cccc(OC3CCN(C(=O)Nc4ccccc4C#N)CC3)c2)c1
InChIInChI=1S/C27H27N3O4/c1-32-22-10-11-26(33-2)24(17-22)19-7-5-8-23(16-19)34-21-12-14-30(15-13-21)27(31)29-25-9-4-3-6-20(25)18-28/h3-11,16-17,21H,12-15H2,1-2H3,(H,29,31)
InChIKeyJZTZXVQCGGYZBK-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.32
Rot. Bonds6

About N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide

N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide (PubChem CID 24733705) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide
PubChem CID24733705
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC NameN-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide
SMILESCOc1ccc(OC)c(-c2cccc(OC3CCN(C(=O)Nc4ccccc4C#N)CC3)c2)c1
InChIInChI=1S/C27H27N3O4/c1-32-22-10-11-26(33-2)24(17-22)19-7-5-8-23(16-19)34-21-12-14-30(15-13-21)27(31)29-25-9-4-3-6-20(25)18-28/h3-11,16-17,21H,12-15H2,1-2H3,(H,29,31)
InChIKeyJZTZXVQCGGYZBK-UHFFFAOYSA-N
XLogP5.32
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide 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

4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703
4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
CID 118063377
(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
N-[4-[4-(1-formylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 167018948
4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine
CID 24733680
N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 118063348
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 72900546
N-(2-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566508
(3R)-N-(2-methoxyphenyl)-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 99877909
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide (CID 24733705) is N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide is COc1ccc(OC)c(-c2cccc(OC3CCN(C(=O)Nc4ccccc4C#N)CC3)c2)c1.
What is the InChIKey of N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide?
The InChIKey is JZTZXVQCGGYZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-32-22-10-11-26(33-2)24(17-22)19-7-5-8-23(16-19)34-21-12-14-30(15-13-21)27(31)29-25-9-4-3-6-20(25)18-28/h3-11,16-17,21H,12-15H2,1-2H3,(H,29,31).
What are the key properties of N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide?
N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide is sourced from PubChem (CID 24733705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).