methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate

C17H19N3O3 — CID 108884718

IUPACmethyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C17H19N3O3/c1-23-17(22)20-11-9-19(10-12-20)16(21)18-15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,18,21)
InChIKeyBYCOEEILYQLNPQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.76
Rot. Bonds1

About methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate

methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate (PubChem CID 108884718) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
PubChem CID108884718
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C17H19N3O3/c1-23-17(22)20-11-9-19(10-12-20)16(21)18-15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,18,21)
InChIKeyBYCOEEILYQLNPQ-UHFFFAOYSA-N
XLogP2.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate 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-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 17445165
4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 30705203
methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
CID 97284758
N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 5005350
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
4-[methyl(methylsulfonyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 51128290
N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide
CID 11011997
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557

Frequently Asked Questions

What is the IUPAC name of methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate (CID 108884718) is methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is BYCOEEILYQLNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-17(22)20-11-9-19(10-12-20)16(21)18-15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,18,21).
What are the key properties of methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate?
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108884718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).