4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide

C23H30N4O — CID 166394818

IUPAC4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide
SMILESCC1CN(Cc2ccccc2)CCN1C(=O)Nc1cccc2c1N(C)CCC2
InChIInChI=1S/C23H30N4O/c1-18-16-26(17-19-8-4-3-5-9-19)14-15-27(18)23(28)24-21-12-6-10-20-11-7-13-25(2)22(20)21/h3-6,8-10,12,18H,7,11,13-17H2,1-2H3,(H,24,28)
InChIKeyFIKKZHQEKAWERC-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.81
Rot. Bonds3

About 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide

4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide (PubChem CID 166394818) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide
PubChem CID166394818
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide
SMILESCC1CN(Cc2ccccc2)CCN1C(=O)Nc1cccc2c1N(C)CCC2
InChIInChI=1S/C23H30N4O/c1-18-16-26(17-19-8-4-3-5-9-19)14-15-27(18)23(28)24-21-12-6-10-20-11-7-13-25(2)22(20)21/h3-6,8-10,12,18H,7,11,13-17H2,1-2H3,(H,24,28)
InChIKeyFIKKZHQEKAWERC-UHFFFAOYSA-N
XLogP3.81
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 166231411
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
(2S)-4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-1,4-diazepane-1-carboxamide
CID 95775566
(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide
CID 95788889
(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 169115361
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-2-oxo-N-phenylacetamide
CID 75467745
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,4-diazepane-1-carboxamide
CID 127350004
4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 136528969
3-amino-1-(4-benzyl-2-methylpiperazin-1-yl)butan-1-one
CID 119884612
4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide
CID 136527494
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide (CID 166394818) is 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide is CC1CN(Cc2ccccc2)CCN1C(=O)Nc1cccc2c1N(C)CCC2.
What is the InChIKey of 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide?
The InChIKey is FIKKZHQEKAWERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-16-26(17-19-8-4-3-5-9-19)14-15-27(18)23(28)24-21-12-6-10-20-11-7-13-25(2)22(20)21/h3-6,8-10,12,18H,7,11,13-17H2,1-2H3,(H,24,28).
What are the key properties of 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide?
4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)piperazine-1-carboxamide is sourced from PubChem (CID 166394818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).