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

C20H30N2O2 — CID 111539101

IUPAC1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(O)C1CCN(C(=O)CCN2c3ccccc3CCC2C)CC1
InChIInChI=1S/C20H30N2O2/c1-15-7-8-18-5-3-4-6-19(18)22(15)14-11-20(24)21-12-9-17(10-13-21)16(2)23/h3-6,15-17,23H,7-14H2,1-2H3
InChIKeyKPNGXCXOVPGDKQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.84
Rot. Bonds4

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

1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 111539101) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID111539101
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(O)C1CCN(C(=O)CCN2c3ccccc3CCC2C)CC1
InChIInChI=1S/C20H30N2O2/c1-15-7-8-18-5-3-4-6-19(18)22(15)14-11-20(24)21-12-9-17(10-13-21)16(2)23/h3-6,15-17,23H,7-14H2,1-2H3
InChIKeyKPNGXCXOVPGDKQ-UHFFFAOYSA-N
XLogP2.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
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-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
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
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 71984950
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 96568264
2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 63028897

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 111539101) is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CC(O)C1CCN(C(=O)CCN2c3ccccc3CCC2C)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is KPNGXCXOVPGDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-7-8-18-5-3-4-6-19(18)22(15)14-11-20(24)21-12-9-17(10-13-21)16(2)23/h3-6,15-17,23H,7-14H2,1-2H3.
What are the key properties of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 330.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 111539101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).