1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

C20H27FN2O2 — CID 70758914

IUPAC1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN2O2/c1-2-19(24)23-11-3-4-18(23)20(25)22-12-9-16(10-13-22)14-15-5-7-17(21)8-6-15/h5-8,16,18H,2-4,9-14H2,1H3
InChIKeyHYCBHAXJZZQAGE-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.01
Rot. Bonds4

About 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 70758914) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
PubChem CID70758914
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN2O2/c1-2-19(24)23-11-3-4-18(23)20(25)22-12-9-16(10-13-22)14-15-5-7-17(21)8-6-15/h5-8,16,18H,2-4,9-14H2,1H3
InChIKeyHYCBHAXJZZQAGE-UHFFFAOYSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (CID 70758914) is 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is HYCBHAXJZZQAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-2-19(24)23-11-3-4-18(23)20(25)22-12-9-16(10-13-22)14-15-5-7-17(21)8-6-15/h5-8,16,18H,2-4,9-14H2,1H3.
What are the key properties of 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 346.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 70758914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).