[(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone

C20H31N3O2 — CID 95228253

IUPAC[(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@@H](NC2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C20H31N3O2/c24-19(18-4-2-14-25-18)23-13-1-3-17(15-23)22-16-5-7-20(8-6-16)9-11-21-12-10-20/h2,4,14,16-17,21-22H,1,3,5-13,15H2/t17-/m1/s1
InChIKeyGAGINVIOQHZHHR-QGZVFWFLSA-N
MW345.49 g/mol
LogP2.79
Rot. Bonds3

About [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone

[(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 95228253) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID95228253
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@@H](NC2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C20H31N3O2/c24-19(18-4-2-14-25-18)23-13-1-3-17(15-23)22-16-5-7-20(8-6-16)9-11-21-12-10-20/h2,4,14,16-17,21-22H,1,3,5-13,15H2/t17-/m1/s1
InChIKeyGAGINVIOQHZHHR-QGZVFWFLSA-N
XLogP2.79
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 56722979
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56881949
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
tert-butyl (3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 96538034
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone (CID 95228253) is [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC[C@@H](NC2CCC3(CCNCC3)CC2)C1.
What is the InChIKey of [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GAGINVIOQHZHHR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-19(18-4-2-14-25-18)23-13-1-3-17(15-23)22-16-5-7-20(8-6-16)9-11-21-12-10-20/h2,4,14,16-17,21-22H,1,3,5-13,15H2/t17-/m1/s1.
What are the key properties of [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone?
[(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 95228253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).