2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

C16H25N3O2 — CID 133138089

IUPAC2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc([C@@H]2CN(CC(=O)N3CCCCC3)C[C@H]2N)o1
InChIInChI=1S/C16H25N3O2/c1-12-5-6-15(21-12)13-9-18(10-14(13)17)11-16(20)19-7-3-2-4-8-19/h5-6,13-14H,2-4,7-11,17H2,1H3/t13-,14-/m1/s1
InChIKeyJCXBAWSLCLSYDQ-ZIAGYGMSSA-N
MW291.39 g/mol
LogP1.33
Rot. Bonds3

About 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 133138089) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID133138089
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc([C@@H]2CN(CC(=O)N3CCCCC3)C[C@H]2N)o1
InChIInChI=1S/C16H25N3O2/c1-12-5-6-15(21-12)13-9-18(10-14(13)17)11-16(20)19-7-3-2-4-8-19/h5-6,13-14H,2-4,7-11,17H2,1H3/t13-,14-/m1/s1
InChIKeyJCXBAWSLCLSYDQ-ZIAGYGMSSA-N
XLogP1.33
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 156603923
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 120762004
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72912508
1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 156607312
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 120762054
(3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
CID 99957203
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone
CID 120759847
ethyl (4S)-4-(5-methylfuran-2-yl)-2-oxo-6-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 39977268
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 72901820
(3S,4S)-1-[2-(azepan-1-yl)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086277
1-(3-amino-4-phenylpyrrolidin-1-yl)-2-(azocan-1-yl)ethanone
CID 156604119
N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 120761183

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (CID 133138089) is 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is Cc1ccc([C@@H]2CN(CC(=O)N3CCCCC3)C[C@H]2N)o1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is JCXBAWSLCLSYDQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-6-15(21-12)13-9-18(10-14(13)17)11-16(20)19-7-3-2-4-8-19/h5-6,13-14H,2-4,7-11,17H2,1H3/t13-,14-/m1/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 291.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 133138089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).