[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone

C19H27N3O2 — CID 110131341

IUPAC[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)CC1
InChIInChI=1S/C19H27N3O2/c1-21-9-6-14(7-10-21)19(23)22-12-15-4-5-18(17(15)13-22)24-16-3-2-8-20-11-16/h2-3,8,11,14-15,17-18H,4-7,9-10,12-13H2,1H3/t15-,17+,18-/m1/s1
InChIKeyITADLEJCHGLQBC-BPQIPLTHSA-N
MW329.44 g/mol
LogP2.04
Rot. Bonds3

About [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone

[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 110131341) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID110131341
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)CC1
InChIInChI=1S/C19H27N3O2/c1-21-9-6-14(7-10-21)19(23)22-12-15-4-5-18(17(15)13-22)24-16-3-2-8-20-11-16/h2-3,8,11,14-15,17-18H,4-7,9-10,12-13H2,1H3/t15-,17+,18-/m1/s1
InChIKeyITADLEJCHGLQBC-BPQIPLTHSA-N
XLogP2.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone with MolForge

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Related Compounds

1-[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-phenoxyethanone
CID 110131214
[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyridin-2-ylmethanone
CID 110131221
2-[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-piperidin-1-ylethanone
CID 110131181
1-[(3aR,4S,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(3-methoxyphenyl)ethanone
CID 110142297
1-[(3aR,4S,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 110142116
[(3aR,4S,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 110142072
(3aR,4R,6aS)-2-propylsulfonyl-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110131205
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
CID 121186032
1-[(3aS,4S,6aR)-4-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-pyrazol-1-ylethanone
CID 110121556
[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate
CID 152529548

Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone (CID 110131341) is [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)CC1.
What is the InChIKey of [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is ITADLEJCHGLQBC-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-9-6-14(7-10-21)19(23)22-12-15-4-5-18(17(15)13-22)24-16-3-2-8-20-11-16/h2-3,8,11,14-15,17-18H,4-7,9-10,12-13H2,1H3/t15-,17+,18-/m1/s1.
What are the key properties of [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone?
[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 329.44 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 110131341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).