N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

C25H31N3O2 — CID 24790651

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCCc2ccccc21)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C25H31N3O2/c29-24-13-12-22(19-28(24)17-14-20-7-2-1-3-8-20)25(30)26-15-18-27-16-6-10-21-9-4-5-11-23(21)27/h1-5,7-9,11,22H,6,10,12-19H2,(H,26,30)
InChIKeySPPYGDGOCLCCDO-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 24790651) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID24790651
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCCc2ccccc21)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C25H31N3O2/c29-24-13-12-22(19-28(24)17-14-20-7-2-1-3-8-20)25(30)26-15-18-27-16-6-10-21-9-4-5-11-23(21)27/h1-5,7-9,11,22H,6,10,12-19H2,(H,26,30)
InChIKeySPPYGDGOCLCCDO-UHFFFAOYSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (CID 24790651) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCN1CCCc2ccccc21)C1CCC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is SPPYGDGOCLCCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24-13-12-22(19-28(24)17-14-20-7-2-1-3-8-20)25(30)26-15-18-27-16-6-10-21-9-4-5-11-23(21)27/h1-5,7-9,11,22H,6,10,12-19H2,(H,26,30).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).