(3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide

C18H24N2O5 — CID 97132018

IUPAC(3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCc2cc3c(cc2OC)OCCO3)CCC1=O
InChIInChI=1S/C18H24N2O5/c1-3-20-11-12(4-5-17(20)21)18(22)19-10-13-8-15-16(9-14(13)23-2)25-7-6-24-15/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyWZBNWIYYKDYKRK-LBPRGKRZSA-N
MW348.40 g/mol
LogP1.34
Rot. Bonds5

About (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide

(3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97132018) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID97132018
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name(3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCc2cc3c(cc2OC)OCCO3)CCC1=O
InChIInChI=1S/C18H24N2O5/c1-3-20-11-12(4-5-17(20)21)18(22)19-10-13-8-15-16(9-14(13)23-2)25-7-6-24-15/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyWZBNWIYYKDYKRK-LBPRGKRZSA-N
XLogP1.34
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 166420165
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42454269
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42287376
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 27843502
1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45185889
1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 56703472
(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250
(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 42213070
2-chloro-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide
CID 86810322
(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 26319411
(2S)-2-amino-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 154903506
(3R)-N-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42360720

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 97132018) is (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide is CCN1C[C@@H](C(=O)NCc2cc3c(cc2OC)OCCO3)CCC1=O.
What is the InChIKey of (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WZBNWIYYKDYKRK-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-20-11-12(4-5-17(20)21)18(22)19-10-13-8-15-16(9-14(13)23-2)25-7-6-24-15/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97132018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).