1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone

C13H22N2O2 — CID 129494454

IUPAC1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1C[C@H]2COC[C@@H]2C1
InChIInChI=1S/C13H22N2O2/c16-13(5-10-1-3-14-4-2-10)15-6-11-8-17-9-12(11)7-15/h10-12,14H,1-9H2/t11-,12-/m0/s1
InChIKeyCHFJVRFIQSAUCZ-RYUDHWBXSA-N
MW238.33 g/mol
LogP0.48
Rot. Bonds2

About 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone

1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone (PubChem CID 129494454) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
PubChem CID129494454
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1C[C@H]2COC[C@@H]2C1
InChIInChI=1S/C13H22N2O2/c16-13(5-10-1-3-14-4-2-10)15-6-11-8-17-9-12(11)7-15/h10-12,14H,1-9H2/t11-,12-/m0/s1
InChIKeyCHFJVRFIQSAUCZ-RYUDHWBXSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone
CID 129496953
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63719518
1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 131933898
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
1-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394621
4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile
CID 79674503
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3-chloropropan-1-one
CID 129499985
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 61030469
N,N-dimethyl-2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetamide
CID 61028980

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone (CID 129494454) is 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone is O=C(CC1CCNCC1)N1C[C@H]2COC[C@@H]2C1.
What is the InChIKey of 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone?
The InChIKey is CHFJVRFIQSAUCZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(5-10-1-3-14-4-2-10)15-6-11-8-17-9-12(11)7-15/h10-12,14H,1-9H2/t11-,12-/m0/s1.
What are the key properties of 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone?
1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone has a molecular weight of 238.33 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 129494454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).