1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione

C21H29N3O5 — CID 95554931

IUPAC1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1)c1ccco1
InChIInChI=1S/C21H29N3O5/c25-19(18-4-2-12-29-18)21(27)22-8-5-17(6-9-22)24-7-1-3-16(15-24)20(26)23-10-13-28-14-11-23/h2,4,12,16-17H,1,3,5-11,13-15H2/t16-/m1/s1
InChIKeyXXDIDSHXUCUPPO-MRXNPFEDSA-N
MW403.48 g/mol
LogP1.02
Rot. Bonds4

About 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione

1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione (PubChem CID 95554931) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione
PubChem CID95554931
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1)c1ccco1
InChIInChI=1S/C21H29N3O5/c25-19(18-4-2-12-29-18)21(27)22-8-5-17(6-9-22)24-7-1-3-16(15-24)20(26)23-10-13-28-14-11-23/h2,4,12,16-17H,1,3,5-11,13-15H2/t16-/m1/s1
InChIKeyXXDIDSHXUCUPPO-MRXNPFEDSA-N
XLogP1.02
TPSA83.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione with MolForge

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Related Compounds

[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
morpholin-4-yl-[(3R)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95560901
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 56861468
[(3S)-1-[1-(furan-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96577944
N,N-dimethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 96582337
[1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56874083
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
[1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56742293
[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 23589138
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95194116

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione (CID 95554931) is 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione is O=C(C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione?
The InChIKey is XXDIDSHXUCUPPO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O5/c25-19(18-4-2-12-29-18)21(27)22-8-5-17(6-9-22)24-7-1-3-16(15-24)20(26)23-10-13-28-14-11-23/h2,4,12,16-17H,1,3,5-11,13-15H2/t16-/m1/s1.
What are the key properties of 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione?
1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione has a molecular weight of 403.48 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 95554931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).