N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide

C26H25N3O2 — CID 101037571

IUPACN-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide
SMILESCOc1ccc(N(C=O)C2(C#N)CCN(C3Cc4cccc5cccc3c45)CC2)cc1
InChIInChI=1S/C26H25N3O2/c1-31-22-10-8-21(9-11-22)29(18-30)26(17-27)12-14-28(15-13-26)24-16-20-6-2-4-19-5-3-7-23(24)25(19)20/h2-11,18,24H,12-16H2,1H3
InChIKeyGTDJUEIESAQDGR-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.47
Rot. Bonds5

About N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide

N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide (PubChem CID 101037571) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide.

Molecular Properties

Compound NameN-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide
PubChem CID101037571
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide
SMILESCOc1ccc(N(C=O)C2(C#N)CCN(C3Cc4cccc5cccc3c45)CC2)cc1
InChIInChI=1S/C26H25N3O2/c1-31-22-10-8-21(9-11-22)29(18-30)26(17-27)12-14-28(15-13-26)24-16-20-6-2-4-19-5-3-7-23(24)25(19)20/h2-11,18,24H,12-16H2,1H3
InChIKeyGTDJUEIESAQDGR-UHFFFAOYSA-N
XLogP4.47
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide 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

1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile
CID 18782402
8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione
CID 18002561
N-(4-methoxyphenyl)-N-(1-phenylcyclopentyl)formamide
CID 57363396
1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine
CID 68830875
2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N,N-dimethylacetamide
CID 90259577
1-bromo-1,2-dihydroacenaphthylene;1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-one;piperidin-4-one;hydrochloride
CID 158941293
(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 67568151
1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217179
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one
CID 90259525
3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 10309214
8-(1,2-dihydroacenaphthylen-1-yl)-3-[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 68721528
ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
CID 90270713

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide?
The IUPAC name of N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide (CID 101037571) is N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide.
What is the SMILES notation for N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide?
The canonical SMILES for N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide is COc1ccc(N(C=O)C2(C#N)CCN(C3Cc4cccc5cccc3c45)CC2)cc1.
What is the InChIKey of N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide?
The InChIKey is GTDJUEIESAQDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-31-22-10-8-21(9-11-22)29(18-30)26(17-27)12-14-28(15-13-26)24-16-20-6-2-4-19-5-3-7-23(24)25(19)20/h2-11,18,24H,12-16H2,1H3.
What are the key properties of N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide?
N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide has a molecular weight of 411.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-N-(4-methoxyphenyl)formamide is sourced from PubChem (CID 101037571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).