10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride

C23H28ClN3O3 — CID 119662758

IUPAC10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C23H27N3O3.ClH/c24-12-5-15-29-17-10-13-25(14-11-17)22(27)16-26-20-8-3-1-6-18(20)23(28)19-7-2-4-9-21(19)26;/h1-4,6-9,17H,5,10-16,24H2;1H
InChIKeyVMMQLNNVLVXOAO-UHFFFAOYSA-N
MW429.95 g/mol
LogP2.93
Rot. Bonds6

About 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride

10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride (PubChem CID 119662758) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride.

Molecular Properties

Compound Name10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
PubChem CID119662758
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C23H27N3O3.ClH/c24-12-5-15-29-17-10-13-25(14-11-17)22(27)16-26-20-8-3-1-6-18(20)23(28)19-7-2-4-9-21(19)26;/h1-4,6-9,17H,5,10-16,24H2;1H
InChIKeyVMMQLNNVLVXOAO-UHFFFAOYSA-N
XLogP2.93
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119663753
10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119544334
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119664601
10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119632340
10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119539969
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
[4-(3-aminopropoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119661960
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 119664692
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chlorophenyl)ethanone;hydrochloride
CID 86813278

Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The IUPAC name of 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride (CID 119662758) is 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride.
What is the SMILES notation for 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The canonical SMILES for 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride is Cl.NCCCOC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.
What is the InChIKey of 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The InChIKey is VMMQLNNVLVXOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3.ClH/c24-12-5-15-29-17-10-13-25(14-11-17)22(27)16-26-20-8-3-1-6-18(20)23(28)19-7-2-4-9-21(19)26;/h1-4,6-9,17H,5,10-16,24H2;1H.
What are the key properties of 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride is sourced from PubChem (CID 119662758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).