2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide

C23H25N3O3 — CID 87037828

IUPAC2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)C(C)Oc3ccc(C#N)cc3)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-16-11-13-26(14-12-16)23(28)19-5-7-20(8-6-19)25-22(27)17(2)29-21-9-3-18(15-24)4-10-21/h3-10,16-17H,11-14H2,1-2H3,(H,25,27)
InChIKeyXNVPEPSIZMBNTL-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.84
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide

2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide (PubChem CID 87037828) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
PubChem CID87037828
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)C(C)Oc3ccc(C#N)cc3)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-16-11-13-26(14-12-16)23(28)19-5-7-20(8-6-19)25-22(27)17(2)29-21-9-3-18(15-24)4-10-21/h3-10,16-17H,11-14H2,1-2H3,(H,25,27)
InChIKeyXNVPEPSIZMBNTL-UHFFFAOYSA-N
XLogP3.84
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide
CID 94625699
2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179657
2-(2-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179652
2-(4-methoxyphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196356
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate
CID 8722218
2-(4-methylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194734
(2R)-2-(4-cyanophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7503277
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide (CID 87037828) is 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide is CC1CCN(C(=O)c2ccc(NC(=O)C(C)Oc3ccc(C#N)cc3)cc2)CC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is XNVPEPSIZMBNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-11-13-26(14-12-16)23(28)19-5-7-20(8-6-19)25-22(27)17(2)29-21-9-3-18(15-24)4-10-21/h3-10,16-17H,11-14H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 87037828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).