[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone

C26H28N6O — CID 71185988

IUPAC[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone
SMILESCc1c(Nc2ccc(C(=O)N3CCCCC3)c3c(C)cccc23)cccc1-c1nnnn1C
InChIInChI=1S/C26H28N6O/c1-17-9-7-11-20-23(14-13-21(24(17)20)26(33)32-15-5-4-6-16-32)27-22-12-8-10-19(18(22)2)25-28-29-30-31(25)3/h7-14,27H,4-6,15-16H2,1-3H3
InChIKeyZXUVNPQNUNPRMQ-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.02
Rot. Bonds4

About [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone

[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone (PubChem CID 71185988) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone
PubChem CID71185988
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone
SMILESCc1c(Nc2ccc(C(=O)N3CCCCC3)c3c(C)cccc23)cccc1-c1nnnn1C
InChIInChI=1S/C26H28N6O/c1-17-9-7-11-20-23(14-13-21(24(17)20)26(33)32-15-5-4-6-16-32)27-22-12-8-10-19(18(22)2)25-28-29-30-31(25)3/h7-14,27H,4-6,15-16H2,1-3H3
InChIKeyZXUVNPQNUNPRMQ-UHFFFAOYSA-N
XLogP5.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone 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

2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71186269
3-[[5-fluoro-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]-2-methylbenzoic acid
CID 71186195
methyl 2-methyl-3-[[5-methyl-4-(morpholine-4-carbonyl)naphthalen-1-yl]amino]benzoate
CID 71186080
N,N,2-trimethyl-5-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71203996
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
[4-(1-methyltetrazol-5-yl)phenyl]-piperidin-1-ylmethanone
CID 71688434
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501
[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 71688433
3-[[5-methyl-4-(piperidine-1-carbonyl)isoquinolin-1-yl]amino]benzoic acid
CID 71186178
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
azepan-1-yl-[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847774
[8-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 25072332

Frequently Asked Questions

What is the IUPAC name of [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone (CID 71185988) is [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone is Cc1c(Nc2ccc(C(=O)N3CCCCC3)c3c(C)cccc23)cccc1-c1nnnn1C.
What is the InChIKey of [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone?
The InChIKey is ZXUVNPQNUNPRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-17-9-7-11-20-23(14-13-21(24(17)20)26(33)32-15-5-4-6-16-32)27-22-12-8-10-19(18(22)2)25-28-29-30-31(25)3/h7-14,27H,4-6,15-16H2,1-3H3.
What are the key properties of [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone?
[8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone has a molecular weight of 440.55 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-4-[2-methyl-3-(1-methyltetrazol-5-yl)anilino]naphthalen-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71185988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).