1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile

C25H25N3O — CID 18782402

IUPAC1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile
SMILESCOc1cccc(NC2(C#N)CCN(C3Cc4cccc5cccc3c45)CC2)c1
InChIInChI=1S/C25H25N3O/c1-29-21-9-4-8-20(16-21)27-25(17-26)11-13-28(14-12-25)23-15-19-7-2-5-18-6-3-10-22(23)24(18)19/h2-10,16,23,27H,11-15H2,1H3
InChIKeyPWJOUKJZGNWQOW-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.92
Rot. Bonds4

About 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile

1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile (PubChem CID 18782402) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile
PubChem CID18782402
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile
SMILESCOc1cccc(NC2(C#N)CCN(C3Cc4cccc5cccc3c45)CC2)c1
InChIInChI=1S/C25H25N3O/c1-29-21-9-4-8-20(16-21)27-25(17-26)11-13-28(14-12-25)23-15-19-7-2-5-18-6-3-10-22(23)24(18)19/h2-10,16,23,27H,11-15H2,1H3
InChIKeyPWJOUKJZGNWQOW-UHFFFAOYSA-N
XLogP4.92
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloroanilino)-1-(1,2-dihydroacenaphthylen-1-yl)piperidine-4-carbonitrile
CID 23298898
4-(3-methoxyanilino)-1-methylazepane-4-carbonitrile
CID 65075260
N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide
CID 101037571
1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile
CID 54887163
1-(3-methoxyanilino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 115999180
1-(3-methoxyanilino)-3-methylcyclohexane-1-carbonitrile
CID 54887116
3-cyclopropyl-1-(3-methoxyanilino)cyclohexane-1-carbonitrile
CID 64625229
3-(3-methoxyanilino)-1-azabicyclo[2.2.2]octane-3-carbonitrile
CID 54887533
3-(3-methoxyanilino)-1,1-dioxothiane-3-carbonitrile
CID 63923259
1-(1-cyano-4-methylcyclohexyl)-3-(3-methoxyphenyl)urea
CID 61310955
2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile
CID 65480955
3-(4-methoxyanilino)thiolane-3-carbonitrile
CID 60988161

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile (CID 18782402) is 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile is COc1cccc(NC2(C#N)CCN(C3Cc4cccc5cccc3c45)CC2)c1.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile?
The InChIKey is PWJOUKJZGNWQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-29-21-9-4-8-20(16-21)27-25(17-26)11-13-28(14-12-25)23-15-19-7-2-5-18-6-3-10-22(23)24(18)19/h2-10,16,23,27H,11-15H2,1H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile?
1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile has a molecular weight of 383.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile is sourced from PubChem (CID 18782402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).