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

C22H33N3O2 — CID 86984103

IUPACN-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(C)C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H33N3O2/c1-3-4-13-23-21(26)19-11-15-24(16-12-19)17(2)22(27)25-14-7-9-18-8-5-6-10-20(18)25/h5-6,8,10,17,19H,3-4,7,9,11-16H2,1-2H3,(H,23,26)
InChIKeyQVRITZKYKJZXRL-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.98
Rot. Bonds6

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

N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 86984103) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID86984103
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(C)C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C22H33N3O2/c1-3-4-13-23-21(26)19-11-15-24(16-12-19)17(2)22(27)25-14-7-9-18-8-5-6-10-20(18)25/h5-6,8,10,17,19H,3-4,7,9,11-16H2,1-2H3,(H,23,26)
InChIKeyQVRITZKYKJZXRL-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26385714
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 86923494
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
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 78786194
1-butyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]guanidine
CID 111079017
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 86984105
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108957855
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 86984103) is N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(C)C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is QVRITZKYKJZXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-4-13-23-21(26)19-11-15-24(16-12-19)17(2)22(27)25-14-7-9-18-8-5-6-10-20(18)25/h5-6,8,10,17,19H,3-4,7,9,11-16H2,1-2H3,(H,23,26).
What are the key properties of N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 86984103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).