4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C23H26N4O3 — CID 55765767

IUPAC4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1
InChIInChI=1S/C23H26N4O3/c1-26(2)23(29)27-11-9-19(10-12-27)22(28)25-20-7-4-8-21(14-20)30-16-18-6-3-5-17(13-18)15-24/h3-8,13-14,19H,9-12,16H2,1-2H3,(H,25,28)
InChIKeyBNIABHQKUDBJCF-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.47
Rot. Bonds5

About 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 55765767) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID55765767
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1
InChIInChI=1S/C23H26N4O3/c1-26(2)23(29)27-11-9-19(10-12-27)22(28)25-20-7-4-8-21(14-20)30-16-18-6-3-5-17(13-18)15-24/h3-8,13-14,19H,9-12,16H2,1-2H3,(H,25,28)
InChIKeyBNIABHQKUDBJCF-UHFFFAOYSA-N
XLogP3.47
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55721690
N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
CID 47042118
N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113008763
N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
CID 52703472
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46465259
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide
CID 154833379
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55993380
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 55779526

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 55765767) is 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1.
What is the InChIKey of 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is BNIABHQKUDBJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-26(2)23(29)27-11-9-19(10-12-27)22(28)25-20-7-4-8-21(14-20)30-16-18-6-3-5-17(13-18)15-24/h3-8,13-14,19H,9-12,16H2,1-2H3,(H,25,28).
What are the key properties of 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55765767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).