3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide

C18H25N3O3 — CID 120578197

IUPAC3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C18H25N3O3/c19-9-8-17(22)20-12-14-6-3-4-10-21(14)18(23)16-11-13-5-1-2-7-15(13)24-16/h1-2,5,7,14,16H,3-4,6,8-12,19H2,(H,20,22)
InChIKeyVMFHGKCOYKLGSE-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.84
Rot. Bonds5

About 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120578197) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide
PubChem CID120578197
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C18H25N3O3/c19-9-8-17(22)20-12-14-6-3-4-10-21(14)18(23)16-11-13-5-1-2-7-15(13)24-16/h1-2,5,7,14,16H,3-4,6,8-12,19H2,(H,20,22)
InChIKeyVMFHGKCOYKLGSE-UHFFFAOYSA-N
XLogP0.84
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 94819696
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579007
3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579738
3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578975
3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579006
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(2-naphthalen-2-ylcyclopropanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578692

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide (CID 120578197) is 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)C1Cc2ccccc2O1.
What is the InChIKey of 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is VMFHGKCOYKLGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-9-8-17(22)20-12-14-6-3-4-10-21(14)18(23)16-11-13-5-1-2-7-15(13)24-16/h1-2,5,7,14,16H,3-4,6,8-12,19H2,(H,20,22).
What are the key properties of 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).