N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

C20H22N4O2 — CID 30400948

IUPACN-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c21-15-16-1-3-17(4-2-16)22-20(26)9-10-23-11-13-24(14-12-23)18-5-7-19(25)8-6-18/h1-8,25H,9-14H2,(H,22,26)
InChIKeyCCRNYLHDDSTKST-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.41
Rot. Bonds5

About N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 30400948) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID30400948
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c21-15-16-1-3-17(4-2-16)22-20(26)9-10-23-11-13-24(14-12-23)18-5-7-19(25)8-6-18/h1-8,25H,9-14H2,(H,22,26)
InChIKeyCCRNYLHDDSTKST-UHFFFAOYSA-N
XLogP2.41
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141
N-(4-cyanophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 33473460
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
CID 2082981
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734
2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010682
ethyl 2-[4-[3-(4-cyanoanilino)-3-oxopropyl]piperazin-1-yl]acetate
CID 22599623
N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (CID 30400948) is N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is N#Cc1ccc(NC(=O)CCN2CCN(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is CCRNYLHDDSTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-15-16-1-3-17(4-2-16)22-20(26)9-10-23-11-13-24(14-12-23)18-5-7-19(25)8-6-18/h1-8,25H,9-14H2,(H,22,26).
What are the key properties of N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30400948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).