4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide

C28H29N3O2 — CID 112832230

IUPAC4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CC2c3ccccc3C1c1ccccc12)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C28H29N3O2/c32-21-7-5-6-20(17-21)30-12-14-31(15-13-30)28(33)29-18-19-16-26-22-8-1-3-10-24(22)27(19)25-11-4-2-9-23(25)26/h1-11,17,19,26-27,32H,12-16,18H2,(H,29,33)
InChIKeyCQESUCIEUCGNHJ-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.52
Rot. Bonds3

About 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide

4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide (PubChem CID 112832230) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide
PubChem CID112832230
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CC2c3ccccc3C1c1ccccc12)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C28H29N3O2/c32-21-7-5-6-20(17-21)30-12-14-31(15-13-30)28(33)29-18-19-16-26-22-8-1-3-10-24(22)27(19)25-11-4-2-9-23(25)26/h1-11,17,19,26-27,32H,12-16,18H2,(H,29,33)
InChIKeyCQESUCIEUCGNHJ-UHFFFAOYSA-N
XLogP4.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-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-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689611
N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide
CID 8669555
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703395
4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 78819250
4-(3-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]piperazine-1-carboxamide
CID 112831737
4-chloro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 18205686
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 94021405
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 94021406
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 112835200

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide (CID 112832230) is 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide is O=C(NCC1CC2c3ccccc3C1c1ccccc12)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide?
The InChIKey is CQESUCIEUCGNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c32-21-7-5-6-20(17-21)30-12-14-31(15-13-30)28(33)29-18-19-16-26-22-8-1-3-10-24(22)27(19)25-11-4-2-9-23(25)26/h1-11,17,19,26-27,32H,12-16,18H2,(H,29,33).
What are the key properties of 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide?
4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 112832230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).