(4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone

C24H33N3O — CID 123502156

IUPAC(4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone
SMILESCN1CC(C(=O)N2CCC(Nc3ccccc3)CC2)CCC1C1=CCCC=C1
InChIInChI=1S/C24H33N3O/c1-26-18-20(12-13-23(26)19-8-4-2-5-9-19)24(28)27-16-14-22(15-17-27)25-21-10-6-3-7-11-21/h3-4,6-11,20,22-23,25H,2,5,12-18H2,1H3
InChIKeyXKKRVSRTOJCBJP-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.08
Rot. Bonds4

About (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone

(4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone (PubChem CID 123502156) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone
PubChem CID123502156
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone
SMILESCN1CC(C(=O)N2CCC(Nc3ccccc3)CC2)CCC1C1=CCCC=C1
InChIInChI=1S/C24H33N3O/c1-26-18-20(12-13-23(26)19-8-4-2-5-9-19)24(28)27-16-14-22(15-17-27)25-21-10-6-3-7-11-21/h3-4,6-11,20,22-23,25H,2,5,12-18H2,1H3
InChIKeyXKKRVSRTOJCBJP-UHFFFAOYSA-N
XLogP4.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone with MolForge

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Related Compounds

(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
methyl 2-(4-anilinopiperidine-1-carbonyl)cyclopentane-1-carboxylate
CID 75473056
[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24900546
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77309770
N-(4-anilinopiperidin-1-yl)benzamide
CID 175169072
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308

Frequently Asked Questions

What is the IUPAC name of (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone (CID 123502156) is (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone is CN1CC(C(=O)N2CCC(Nc3ccccc3)CC2)CCC1C1=CCCC=C1.
What is the InChIKey of (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone?
The InChIKey is XKKRVSRTOJCBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-26-18-20(12-13-23(26)19-8-4-2-5-9-19)24(28)27-16-14-22(15-17-27)25-21-10-6-3-7-11-21/h3-4,6-11,20,22-23,25H,2,5,12-18H2,1H3.
What are the key properties of (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone?
(4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone has a molecular weight of 379.55 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilinopiperidin-1-yl)-(6-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 123502156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).