4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide

C19H25N3O3 — CID 94660712

IUPAC4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
SMILESCCN(C(=O)C1CCN(C(N)=O)CC1)[C@@H](C)c1cc2ccccc2o1
InChIInChI=1S/C19H25N3O3/c1-3-22(18(23)14-8-10-21(11-9-14)19(20)24)13(2)17-12-15-6-4-5-7-16(15)25-17/h4-7,12-14H,3,8-11H2,1-2H3,(H2,20,24)/t13-/m0/s1
InChIKeyRLKCOCKTQGGNIJ-ZDUSSCGKSA-N
MW343.43 g/mol
LogP3.13
Rot. Bonds4

About 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide

4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide (PubChem CID 94660712) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
PubChem CID94660712
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
SMILESCCN(C(=O)C1CCN(C(N)=O)CC1)[C@@H](C)c1cc2ccccc2o1
InChIInChI=1S/C19H25N3O3/c1-3-22(18(23)14-8-10-21(11-9-14)19(20)24)13(2)17-12-15-6-4-5-7-16(15)25-17/h4-7,12-14H,3,8-11H2,1-2H3,(H2,20,24)/t13-/m0/s1
InChIKeyRLKCOCKTQGGNIJ-ZDUSSCGKSA-N
XLogP3.13
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182373
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
CID 94486660
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-(methylamino)acetamide
CID 119748635
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide
CID 94486704
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119518879
5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide
CID 120625514
(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486627
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 60575299
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486629
1-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011259
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 60574663

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide (CID 94660712) is 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide is CCN(C(=O)C1CCN(C(N)=O)CC1)[C@@H](C)c1cc2ccccc2o1.
What is the InChIKey of 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide?
The InChIKey is RLKCOCKTQGGNIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-22(18(23)14-8-10-21(11-9-14)19(20)24)13(2)17-12-15-6-4-5-7-16(15)25-17/h4-7,12-14H,3,8-11H2,1-2H3,(H2,20,24)/t13-/m0/s1.
What are the key properties of 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide?
4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 94660712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).