4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C24H30ClN3O2 — CID 23359080

IUPAC4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCN(CCc1ccccc1)C1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1.Cl
InChIInChI=1S/C24H29N3O2.ClH/c1-26(14-11-18-7-3-2-4-8-18)19-12-15-27(16-13-19)24(29)21-17-23(28)25-22-10-6-5-9-20(21)22;/h2-10,19,21H,11-17H2,1H3,(H,25,28);1H
InChIKeyVBQIMNILRZXNQO-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.70
Rot. Bonds5

About 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 23359080) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID23359080
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCN(CCc1ccccc1)C1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1.Cl
InChIInChI=1S/C24H29N3O2.ClH/c1-26(14-11-18-7-3-2-4-8-18)19-12-15-27(16-13-19)24(29)21-17-23(28)25-22-10-6-5-9-20(21)22;/h2-10,19,21H,11-17H2,1H3,(H,25,28);1H
InChIKeyVBQIMNILRZXNQO-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 23359080) is 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is CN(CCc1ccccc1)C1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1.Cl.
What is the InChIKey of 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is VBQIMNILRZXNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2.ClH/c1-26(14-11-18-7-3-2-4-8-18)19-12-15-27(16-13-19)24(29)21-17-23(28)25-22-10-6-5-9-20(21)22;/h2-10,19,21H,11-17H2,1H3,(H,25,28);1H.
What are the key properties of 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 427.98 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 23359080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).