4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide

C24H27N5O2 — CID 10202089

IUPAC4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)N/C(N)=N/Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H27N5O2/c1-31-22-12-5-4-11-21(22)28-13-15-29(16-14-28)24(30)27-23(25)26-17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12H,13-17H2,1H3,(H3,25,26,27,30)
InChIKeyJRLJFLWPLMJTPJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.19
Rot. Bonds4

About 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide (PubChem CID 10202089) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide
PubChem CID10202089
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)N/C(N)=N/Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H27N5O2/c1-31-22-12-5-4-11-21(22)28-13-15-29(16-14-28)24(30)27-23(25)26-17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12H,13-17H2,1H3,(H3,25,26,27,30)
InChIKeyJRLJFLWPLMJTPJ-UHFFFAOYSA-N
XLogP3.19
TPSA83.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-naphthalen-2-yl-acrylamide
CID 11102301
4-(2-methoxyphenyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 1328402
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide
CID 72549768
3-Benzyl-2-(2-methoxy-phenylamino)-3,5-dihydro-imidazol-4-one
CID 648663
1-(2-Ethoxyphenyl)-4-(1-naphthylmethyl)piperazine
CID 792265
N-(2,3-dimethylphenyl)-N'-{2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}urea
CID 1295362
4-(2-methoxyphenyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 4544449
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1-naphthamide
CID 11647384
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-3-phenyl-acrylamide
CID 11826347
4-(4-(2-Methoxyphenyl)piperazin-1-yl)-N-(naphthalen-2-ylmethyl)-N-propylbutan-1-amine
CID 53248347
1-[2-[2-(dimethylamino)ethoxy]phenyl]-3-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]urea
CID 71455044
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide
CID 72548117

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide (CID 10202089) is 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)N/C(N)=N/Cc2cccc3ccccc23)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide?
The InChIKey is JRLJFLWPLMJTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-31-22-12-5-4-11-21(22)28-13-15-29(16-14-28)24(30)27-23(25)26-17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12H,13-17H2,1H3,(H3,25,26,27,30).
What are the key properties of 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazine-1-carboxamide is sourced from PubChem (CID 10202089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).