4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide

C22H23N3O2 — CID 11508787

IUPAC4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3c2O)CC1
InChIInChI=1S/C22H23N3O2/c26-21-18(11-10-17-6-4-5-9-20(17)21)16-24-12-14-25(15-13-24)22(27)23-19-7-2-1-3-8-19/h1-11,26H,12-16H2,(H,23,27)
InChIKeyNUDOOCWDDHYJIC-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.90
Rot. Bonds3

About 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide

4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 11508787) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID11508787
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3c2O)CC1
InChIInChI=1S/C22H23N3O2/c26-21-18(11-10-17-6-4-5-9-20(17)21)16-24-12-14-25(15-13-24)22(27)23-19-7-2-1-3-8-19/h1-11,26H,12-16H2,(H,23,27)
InChIKeyNUDOOCWDDHYJIC-UHFFFAOYSA-N
XLogP3.90
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-Dihydro-1H-perimidin-2-yl)-naphthalen-2-ol
CID 668468
N-(5-Hydroxy-1-naphthalenyl)-N'-phenylurea
CID 4432275
1-Benzyl-3-(7-hydroxynaphthalen-1-yl)urea
CID 5330591
N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide
CID 2496326
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 7997911
(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-N-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine-2-carboxamide
CID 16094416
N-(4-Hydroxy-5-isopropyl-2-methylphenyl)-N'-(1-naphthyl)urea
CID 233722
2-[(2-hydroxy-1-naphthalenyl)methyl-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide
CID 2423351
N-[[4-(dimethylamino)phenyl](2-hydroxy-1-naphthyl)methyl]-2-methylpropanamide
CID 3129259
N-[[4-(dimethylamino)phenyl](2-hydroxy-1-naphthyl)methyl]butanamide
CID 4713855
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4882542
1-Phenethyl-3-(7-hydroxy-1-naphthyl)urea
CID 10357804

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide (CID 11508787) is 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3c2O)CC1.
What is the InChIKey of 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is NUDOOCWDDHYJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21-18(11-10-17-6-4-5-9-20(17)21)16-24-12-14-25(15-13-24)22(27)23-19-7-2-1-3-8-19/h1-11,26H,12-16H2,(H,23,27).
What are the key properties of 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide?
4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11508787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).