4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide

C21H25N3O2 — CID 122568385

IUPAC4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20-9-7-19(8-10-20)23-11-13-24(14-12-23)21(26)22-18-6-5-16-3-1-2-4-17(16)15-18/h1-4,7-10,18,25H,5-6,11-15H2,(H,22,26)
InChIKeyVIBHLZSOPGOAJY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.78
Rot. Bonds2

About 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide

4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide (PubChem CID 122568385) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide
PubChem CID122568385
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20-9-7-19(8-10-20)23-11-13-24(14-12-23)21(26)22-18-6-5-16-3-1-2-4-17(16)15-18/h1-4,7-10,18,25H,5-6,11-15H2,(H,22,26)
InChIKeyVIBHLZSOPGOAJY-UHFFFAOYSA-N
XLogP2.78
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-2-yl)morpholine-4-carboxamide
CID 115599477
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
methyl 4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]-1,4-diazepane-1-carboxylate
CID 95299227
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-1-carboxamide
CID 154780747
4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide
CID 136542748
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
N-(2,3-dihydro-1H-inden-2-yl)-4-methylpiperidine-1-carboxamide
CID 104694688
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 106501740
4-hydroxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103865106
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide (CID 122568385) is 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide is O=C(NC1CCc2ccccc2C1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide?
The InChIKey is VIBHLZSOPGOAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20-9-7-19(8-10-20)23-11-13-24(14-12-23)21(26)22-18-6-5-16-3-1-2-4-17(16)15-18/h1-4,7-10,18,25H,5-6,11-15H2,(H,22,26).
What are the key properties of 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide?
4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122568385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).