1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C24H29N3O3 — CID 26385714

IUPAC1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESC[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C24H29N3O3/c1-17(24(30)27-14-6-8-18-7-2-4-10-21(18)27)26-15-12-19(13-16-26)23(29)25-20-9-3-5-11-22(20)28/h2-5,7,9-11,17,19,28H,6,8,12-16H2,1H3,(H,25,29)/t17-/m0/s1
InChIKeyORZAHIHXWILKII-KRWDZBQOSA-N
MW407.51 g/mol
LogP3.41
Rot. Bonds4

About 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 26385714) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID26385714
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESC[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C24H29N3O3/c1-17(24(30)27-14-6-8-18-7-2-4-10-21(18)27)26-15-12-19(13-16-26)23(29)25-20-9-3-5-11-22(20)28/h2-5,7,9-11,17,19,28H,6,8,12-16H2,1H3,(H,25,29)/t17-/m0/s1
InChIKeyORZAHIHXWILKII-KRWDZBQOSA-N
XLogP3.41
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86984103
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
N-(2-hydroxyphenyl)-1-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489479
N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489471
N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane
CID 173251372
(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994047
N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41099612
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 78786194
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 51168048

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 26385714) is 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(C(=O)Nc2ccccc2O)CC1.
What is the InChIKey of 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is ORZAHIHXWILKII-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(24(30)27-14-6-8-18-7-2-4-10-21(18)27)26-15-12-19(13-16-26)23(29)25-20-9-3-5-11-22(20)28/h2-5,7,9-11,17,19,28H,6,8,12-16H2,1H3,(H,25,29)/t17-/m0/s1.
What are the key properties of 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26385714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).