2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide

C15H21N3O — CID 54892289

IUPAC2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESNC(=O)C1(N2CCNCC2)CCc2ccccc2C1
InChIInChI=1S/C15H21N3O/c16-14(19)15(18-9-7-17-8-10-18)6-5-12-3-1-2-4-13(12)11-15/h1-4,17H,5-11H2,(H2,16,19)
InChIKeyPDPKJNIOGONTNK-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.30
Rot. Bonds2

About 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide

2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 54892289) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID54892289
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESNC(=O)C1(N2CCNCC2)CCc2ccccc2C1
InChIInChI=1S/C15H21N3O/c16-14(19)15(18-9-7-17-8-10-18)6-5-12-3-1-2-4-13(12)11-15/h1-4,17H,5-11H2,(H2,16,19)
InChIKeyPDPKJNIOGONTNK-UHFFFAOYSA-N
XLogP0.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4004542
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide
CID 5162697
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 5210526
2-naphthalen-1-yl-N-[1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]acetamide
CID 4876341
(2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10572047
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(butanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 11491247
US11802131, Example 15
CID 147789526
1-Naphthalenecarboxamide, 1,2,3,4-tetrahydro-N-(2-(diethylamino)ethyl)-
CID 36133
N-butyl-2-methyl-1-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 49789546
N-butyl-2-methyl-1-[(2-phenylphenyl)methyl]piperidine-2-carboxamide
CID 49789819
US11802131, Example 27
CID 137533596
US11802131, Example 46
CID 137533608

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 54892289) is 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide is NC(=O)C1(N2CCNCC2)CCc2ccccc2C1.
What is the InChIKey of 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is PDPKJNIOGONTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-14(19)15(18-9-7-17-8-10-18)6-5-12-3-1-2-4-13(12)11-15/h1-4,17H,5-11H2,(H2,16,19).
What are the key properties of 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide?
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 54892289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).