8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one

C24H26N2O3 — CID 119595081

IUPAC8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCCC(C(C)N)C3)cccc2c1=O
InChIInChI=1S/C24H26N2O3/c1-15-21(27)19-11-6-12-20(23(19)29-22(15)17-8-4-3-5-9-17)24(28)26-13-7-10-18(14-26)16(2)25/h3-6,8-9,11-12,16,18H,7,10,13-14,25H2,1-2H3
InChIKeyCZVWCXRATGVHOJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.97
Rot. Bonds3

About 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one

8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 119595081) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
PubChem CID119595081
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCCC(C(C)N)C3)cccc2c1=O
InChIInChI=1S/C24H26N2O3/c1-15-21(27)19-11-6-12-20(23(19)29-22(15)17-8-4-3-5-9-17)24(28)26-13-7-10-18(14-26)16(2)25/h3-6,8-9,11-12,16,18H,7,10,13-14,25H2,1-2H3
InChIKeyCZVWCXRATGVHOJ-UHFFFAOYSA-N
XLogP3.97
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one 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

8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
CID 75469313
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
CID 119166358
8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166196840
7-amino-2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 166242478
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811024
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 7582799
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513786
3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid;1-piperidin-1-ylethanol;hydrochloride
CID 23615729
8-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 2406363
8-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 32769378

Frequently Asked Questions

What is the IUPAC name of 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (CID 119595081) is 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCC(C(C)N)C3)cccc2c1=O.
What is the InChIKey of 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The InChIKey is CZVWCXRATGVHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-15-21(27)19-11-6-12-20(23(19)29-22(15)17-8-4-3-5-9-17)24(28)26-13-7-10-18(14-26)16(2)25/h3-6,8-9,11-12,16,18H,7,10,13-14,25H2,1-2H3.
What are the key properties of 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 390.48 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 119595081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).