1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

C18H27N3O — CID 124693452

IUPAC1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESC[C@H]1CCc2ccccc2N1CCC(=O)N1CCC(N)CC1
InChIInChI=1S/C18H27N3O/c1-14-6-7-15-4-2-3-5-17(15)21(14)13-10-18(22)20-11-8-16(19)9-12-20/h2-5,14,16H,6-13,19H2,1H3/t14-/m0/s1
InChIKeyWWKGZPPOOPCYOK-AWEZNQCLSA-N
MW301.43 g/mol
LogP2.17
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (PubChem CID 124693452) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
PubChem CID124693452
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESC[C@H]1CCc2ccccc2N1CCC(=O)N1CCC(N)CC1
InChIInChI=1S/C18H27N3O/c1-14-6-7-15-4-2-3-5-17(15)21(14)13-10-18(22)20-11-8-16(19)9-12-20/h2-5,14,16H,6-13,19H2,1H3/t14-/m0/s1
InChIKeyWWKGZPPOOPCYOK-AWEZNQCLSA-N
XLogP2.17
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 95906955
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 125147410
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109017603
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid
CID 124689456
2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 54945544
4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one;hydrochloride
CID 119375541
2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (CID 124693452) is 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is C[C@H]1CCc2ccccc2N1CCC(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The InChIKey is WWKGZPPOOPCYOK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-6-7-15-4-2-3-5-17(15)21(14)13-10-18(22)20-11-8-16(19)9-12-20/h2-5,14,16H,6-13,19H2,1H3/t14-/m0/s1.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one has a molecular weight of 301.43 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is sourced from PubChem (CID 124693452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).