4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide

C16H17N3O2 — CID 3736870

IUPAC4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C16H17N3O2/c20-12-18-8-10-19(11-9-18)16(21)17-15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2,(H,17,21)
InChIKeyJDWMOIJWPVGVQG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.15
Rot. Bonds2

About 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide

4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide (PubChem CID 3736870) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
PubChem CID3736870
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C16H17N3O2/c20-12-18-8-10-19(11-9-18)16(21)17-15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2,(H,17,21)
InChIKeyJDWMOIJWPVGVQG-UHFFFAOYSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
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
N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 17379875
4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 30705203
N-naphthalen-1-yl-4-(4,4,4-trifluorobutanoyl)-1,4-diazepane-1-carboxamide
CID 67493528

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The IUPAC name of 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide (CID 3736870) is 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide is O=CN1CCN(C(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The InChIKey is JDWMOIJWPVGVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-12-18-8-10-19(11-9-18)16(21)17-15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2,(H,17,21).
What are the key properties of 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 3736870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).