[4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone

C22H28N2O4 — CID 99788962

IUPAC[4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCOc1cc(OC)cc([C@H]2CCN(C3CCN(C(=O)c4ccco4)CC3)C2)c1
InChIInChI=1S/C22H28N2O4/c1-26-19-12-17(13-20(14-19)27-2)16-5-8-24(15-16)18-6-9-23(10-7-18)22(25)21-4-3-11-28-21/h3-4,11-14,16,18H,5-10,15H2,1-2H3/t16-/m0/s1
InChIKeyWJBUUCZBLOOOMI-INIZCTEOSA-N
MW384.48 g/mol
LogP3.39
Rot. Bonds5

About [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone

[4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 99788962) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID99788962
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCOc1cc(OC)cc([C@H]2CCN(C3CCN(C(=O)c4ccco4)CC3)C2)c1
InChIInChI=1S/C22H28N2O4/c1-26-19-12-17(13-20(14-19)27-2)16-5-8-24(15-16)18-6-9-23(10-7-18)22(25)21-4-3-11-28-21/h3-4,11-14,16,18H,5-10,15H2,1-2H3/t16-/m0/s1
InChIKeyWJBUUCZBLOOOMI-INIZCTEOSA-N
XLogP3.39
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
furan-2-yl-[(2R,3R,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 56885909
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
[1-(furan-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281116
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
(2-fluoro-4-methoxyphenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38910645
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone (CID 99788962) is [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone is COc1cc(OC)cc([C@H]2CCN(C3CCN(C(=O)c4ccco4)CC3)C2)c1.
What is the InChIKey of [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is WJBUUCZBLOOOMI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-19-12-17(13-20(14-19)27-2)16-5-8-24(15-16)18-6-9-23(10-7-18)22(25)21-4-3-11-28-21/h3-4,11-14,16,18H,5-10,15H2,1-2H3/t16-/m0/s1.
What are the key properties of [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 384.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 99788962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).