1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide

C24H29N5O3 — CID 71173364

IUPAC1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide
SMILESN#CC1C=CC=CC1N1CCN(C(=O)CN2CCC(C(=O)Nc3ccc(O)cc3)C2)CC1
InChIInChI=1S/C24H29N5O3/c25-15-18-3-1-2-4-22(18)28-11-13-29(14-12-28)23(31)17-27-10-9-19(16-27)24(32)26-20-5-7-21(30)8-6-20/h1-8,18-19,22,30H,9-14,16-17H2,(H,26,32)
InChIKeyHYLJHGNMGBPWCN-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide

1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 71173364) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide
PubChem CID71173364
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide
SMILESN#CC1C=CC=CC1N1CCN(C(=O)CN2CCC(C(=O)Nc3ccc(O)cc3)C2)CC1
InChIInChI=1S/C24H29N5O3/c25-15-18-3-1-2-4-22(18)28-11-13-29(14-12-28)23(31)17-27-10-9-19(16-27)24(32)26-20-5-7-21(30)8-6-20/h1-8,18-19,22,30H,9-14,16-17H2,(H,26,32)
InChIKeyHYLJHGNMGBPWCN-UHFFFAOYSA-N
XLogP1.43
TPSA99.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 58985278
N-(4-hydroxyphenyl)-1-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 91563948
(3S)-N-(4-hydroxyphenyl)-1-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 58985307
N-(4-hydroxyphenyl)-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 58985273
N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981373
(3R)-1-[2-[4-(4-bromophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 118721299
1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71864234
(3R)-1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 58985201
(3R)-N-(4-hydroxy-3-methylphenyl)-1-[2-oxo-2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 159500587
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125292
(3R)-N-(3,4-dihydroxyphenyl)-1-[2-[4-[4-(furan-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 70216240
(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 58985189

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide (CID 71173364) is 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide is N#CC1C=CC=CC1N1CCN(C(=O)CN2CCC(C(=O)Nc3ccc(O)cc3)C2)CC1.
What is the InChIKey of 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is HYLJHGNMGBPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c25-15-18-3-1-2-4-22(18)28-11-13-29(14-12-28)23(31)17-27-10-9-19(16-27)24(32)26-20-5-7-21(30)8-6-20/h1-8,18-19,22,30H,9-14,16-17H2,(H,26,32).
What are the key properties of 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide?
1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-cyanocyclohexa-2,4-dien-1-yl)piperazin-1-yl]-2-oxoethyl]-N-(4-hydroxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71173364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).