[9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone

C31H35N5O — CID 16729343

IUPAC[9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc3nc4ccccc4c(NC4CCN(Cc5ccccc5)CC4)c23)CC1
InChIInChI=1S/C31H35N5O/c1-34-18-20-36(21-19-34)31(37)26-11-7-13-28-29(26)30(25-10-5-6-12-27(25)33-28)32-24-14-16-35(17-15-24)22-23-8-3-2-4-9-23/h2-13,24H,14-22H2,1H3,(H,32,33)
InChIKeyCZXFKUKRCNRTPL-UHFFFAOYSA-N
MW493.66 g/mol
LogP4.85
Rot. Bonds5

About [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone

[9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 16729343) has the molecular formula C31H35N5O and a molecular weight of 493.66 g/mol. Its IUPAC name is [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID16729343
Molecular FormulaC31H35N5O
Molecular Weight493.66 g/mol
Exact Mass493.28
IUPAC Name[9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc3nc4ccccc4c(NC4CCN(Cc5ccccc5)CC4)c23)CC1
InChIInChI=1S/C31H35N5O/c1-34-18-20-36(21-19-34)31(37)26-11-7-13-28-29(26)30(25-10-5-6-12-27(25)33-28)32-24-14-16-35(17-15-24)22-23-8-3-2-4-9-23/h2-13,24H,14-22H2,1H3,(H,32,33)
InChIKeyCZXFKUKRCNRTPL-UHFFFAOYSA-N
XLogP4.85
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[9-[(1-benzylpiperidin-4-yl)amino]acridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11698881
[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone
CID 71571140
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992
3-[(1-benzylpiperidin-4-yl)amino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
CID 51052742
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol
CID 145433688
[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135105421
N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide
CID 57116659
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide
CID 117094608
N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 117079965
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424

Frequently Asked Questions

What is the IUPAC name of [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 16729343) is [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccc3nc4ccccc4c(NC4CCN(Cc5ccccc5)CC4)c23)CC1.
What is the InChIKey of [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CZXFKUKRCNRTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O/c1-34-18-20-36(21-19-34)31(37)26-11-7-13-28-29(26)30(25-10-5-6-12-27(25)33-28)32-24-14-16-35(17-15-24)22-23-8-3-2-4-9-23/h2-13,24H,14-22H2,1H3,(H,32,33).
What are the key properties of [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 493.66 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 16729343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).