N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

C23H26N2O4 — CID 136525165

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCc2ccc3c(c2)OCCO3)C1c1ccccc1
InChIInChI=1S/C23H26N2O4/c1-25-21(26)10-8-18(22(25)17-5-3-2-4-6-17)23(27)24-12-11-16-7-9-19-20(15-16)29-14-13-28-19/h2-7,9,15,18,22H,8,10-14H2,1H3,(H,24,27)
InChIKeyIKDPWPQBEGQURO-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 136525165) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID136525165
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCc2ccc3c(c2)OCCO3)C1c1ccccc1
InChIInChI=1S/C23H26N2O4/c1-25-21(26)10-8-18(22(25)17-5-3-2-4-6-17)23(27)24-12-11-16-7-9-19-20(15-16)29-14-13-28-19/h2-7,9,15,18,22H,8,10-14H2,1H3,(H,24,27)
InChIKeyIKDPWPQBEGQURO-UHFFFAOYSA-N
XLogP2.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 86955879
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
4-[2-[[(2S,3R)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125151949
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535808
1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119392654
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110606566
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 124607174
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxamide
CID 58654401
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (CID 136525165) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is CN1C(=O)CCC(C(=O)NCCc2ccc3c(c2)OCCO3)C1c1ccccc1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is IKDPWPQBEGQURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-25-21(26)10-8-18(22(25)17-5-3-2-4-6-17)23(27)24-12-11-16-7-9-19-20(15-16)29-14-13-28-19/h2-7,9,15,18,22H,8,10-14H2,1H3,(H,24,27).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 136525165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).