(3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

C15H26N2O3 — CID 138806340

IUPAC(3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCCCN1CCC(N2C[C@@H]3COC[C@]3(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-5-16-6-3-13(4-7-16)17-8-12-9-20-11-15(12,10-17)14(18)19/h12-13H,2-11H2,1H3,(H,18,19)/t12-,15-/m1/s1
InChIKeyKOZGFXMVEOTKKR-IUODEOHRSA-N
MW282.38 g/mol
LogP0.89
Rot. Bonds4

About (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

(3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (PubChem CID 138806340) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
PubChem CID138806340
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCCCN1CCC(N2C[C@@H]3COC[C@]3(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-5-16-6-3-13(4-7-16)17-8-12-9-20-11-15(12,10-17)14(18)19/h12-13H,2-11H2,1H3,(H,18,19)/t12-,15-/m1/s1
InChIKeyKOZGFXMVEOTKKR-IUODEOHRSA-N
XLogP0.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138039508
(3aR,7aR)-2-[1-(2-methylpropyl)piperidin-4-yl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137345315
(3aR,6aR)-5-[2-(diethylamino)-2-oxoethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599725
1-(1-propylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060666
2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 65069382
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
[(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol
CID 162632832
2-[4-(1-propylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 66434708
(3aR,6aR)-2-(oxan-4-yl)-5-(5-propyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72868085
(3aR,6aR)-5-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599542
4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)
CID 171321153
ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
CID 169158837

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (CID 138806340) is (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is CCCN1CCC(N2C[C@@H]3COC[C@]3(C(=O)O)C2)CC1.
What is the InChIKey of (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The InChIKey is KOZGFXMVEOTKKR-IUODEOHRSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-5-16-6-3-13(4-7-16)17-8-12-9-20-11-15(12,10-17)14(18)19/h12-13H,2-11H2,1H3,(H,18,19)/t12-,15-/m1/s1.
What are the key properties of (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
(3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(1-propylpiperidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 138806340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).