[(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone

C21H30N2O3 — CID 42190251

IUPAC[(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C21H30N2O3/c24-21(20-4-3-15-25-20)23-13-9-19(10-14-23)26-18-7-5-17(6-8-18)16-22-11-1-2-12-22/h5-8,19-20H,1-4,9-16H2/t20-/m1/s1
InChIKeyQCZJMFKIACSMSL-HXUWFJFHSA-N
MW358.48 g/mol
LogP2.83
Rot. Bonds5

About [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone

[(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 42190251) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID42190251
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name[(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C21H30N2O3/c24-21(20-4-3-15-25-20)23-13-9-19(10-14-23)26-18-7-5-17(6-8-18)16-22-11-1-2-12-22/h5-8,19-20H,1-4,9-16H2/t20-/m1/s1
InChIKeyQCZJMFKIACSMSL-HXUWFJFHSA-N
XLogP2.83
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
[3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 90652723
[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 49229106
[4-[2-[4-[(4-benzylpiperidin-1-yl)methyl]phenoxy]ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 45224100
[4-(2-hydroxyethoxy)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103899128
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 6466812
[4-(4-fluorophenoxy)piperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 70729318
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110639052
[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42382175
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone (CID 42190251) is [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone is O=C([C@H]1CCCO1)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is QCZJMFKIACSMSL-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-21(20-4-3-15-25-20)23-13-9-19(10-14-23)26-18-7-5-17(6-8-18)16-22-11-1-2-12-22/h5-8,19-20H,1-4,9-16H2/t20-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone?
[(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 358.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 42190251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).