1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide

C25H31N3O3 — CID 99784805

IUPAC1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc2c1N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CC[C@@H]2C
InChIInChI=1S/C25H31N3O3/c1-18-11-14-28(24-21(18)9-6-10-22(24)31-2)17-23(29)27-15-12-19(13-16-27)25(30)26-20-7-4-3-5-8-20/h3-10,18-19H,11-17H2,1-2H3,(H,26,30)/t18-/m0/s1
InChIKeyIACNOBFCFAUPJE-SFHVURJKSA-N
MW421.54 g/mol
LogP3.89
Rot. Bonds5

About 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 99784805) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID99784805
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc2c1N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CC[C@@H]2C
InChIInChI=1S/C25H31N3O3/c1-18-11-14-28(24-21(18)9-6-10-22(24)31-2)17-23(29)27-15-12-19(13-16-27)25(30)26-20-7-4-3-5-8-20/h3-10,18-19H,11-17H2,1-2H3,(H,26,30)/t18-/m0/s1
InChIKeyIACNOBFCFAUPJE-SFHVURJKSA-N
XLogP3.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide 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

1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 126029057
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
1-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55739312
1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24568541

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide (CID 99784805) is 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide is COc1cccc2c1N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CC[C@@H]2C.
What is the InChIKey of 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is IACNOBFCFAUPJE-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-11-14-28(24-21(18)9-6-10-22(24)31-2)17-23(29)27-15-12-19(13-16-27)25(30)26-20-7-4-3-5-8-20/h3-10,18-19H,11-17H2,1-2H3,(H,26,30)/t18-/m0/s1.
What are the key properties of 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 99784805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).