3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide

C29H37N5O2 — CID 5390

IUPAC3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCC4)cc3nc2c1
InChIInChI=1S/C29H37N5O2/c35-28(11-17-33-13-3-1-4-14-33)30-24-9-7-22-19-23-8-10-25(21-27(23)32-26(22)20-24)31-29(36)12-18-34-15-5-2-6-16-34/h7-10,19-21H,1-6,11-18H2,(H,30,35)(H,31,36)
InChIKeyLOWHFCSBBFGECH-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.02
Rot. Bonds8

About 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide

3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide (PubChem CID 5390) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide
PubChem CID5390
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCC4)cc3nc2c1
InChIInChI=1S/C29H37N5O2/c35-28(11-17-33-13-3-1-4-14-33)30-24-9-7-22-19-23-8-10-25(21-27(23)32-26(22)20-24)31-29(36)12-18-34-15-5-2-6-16-34/h7-10,19-21H,1-6,11-18H2,(H,30,35)(H,31,36)
InChIKeyLOWHFCSBBFGECH-UHFFFAOYSA-N
XLogP5.02
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide 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

Acriflavine
CID 443101
JP1302
CID 540335
Bis(7)-tacrine
CID 9549196
Bis(3)-cognitin
CID 12069888
Braco-19
CID 9808666
Acetanilide, 4'-(9-acridinylamino)-
CID 47508
Quindecamine
CID 21943
Acridine, 9,9'-tetramethylenediiminobis-
CID 42755
Methylbis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine
CID 10481357
N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 10625415
Ethylbis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine
CID 11191634
(R)-tacrine(10)-hupyridone
CID 5326966

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide?
The IUPAC name of 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide (CID 5390) is 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide.
What is the SMILES notation for 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide?
The canonical SMILES for 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide is O=C(CCN1CCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCC4)cc3nc2c1.
What is the InChIKey of 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide?
The InChIKey is LOWHFCSBBFGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c35-28(11-17-33-13-3-1-4-14-33)30-24-9-7-22-19-23-8-10-25(21-27(23)32-26(22)20-24)31-29(36)12-18-34-15-5-2-6-16-34/h7-10,19-21H,1-6,11-18H2,(H,30,35)(H,31,36).
What are the key properties of 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide?
3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide has a molecular weight of 487.65 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[6-(3-piperidin-1-ylpropanoylamino)acridin-3-yl]propanamide is sourced from PubChem (CID 5390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).