4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C19H26FN3O2 — CID 91910205

IUPAC4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-19(25)22-9-6-15(7-10-22)16-8-11-23(13-16)18(24)12-14-2-4-17(20)5-3-14/h2-5,15-16H,6-13H2,1H3,(H,21,25)
InChIKeyLKUWUHDWDNOOKI-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.27
Rot. Bonds3

About 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91910205) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91910205
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-19(25)22-9-6-15(7-10-22)16-8-11-23(13-16)18(24)12-14-2-4-17(20)5-3-14/h2-5,15-16H,6-13H2,1H3,(H,21,25)
InChIKeyLKUWUHDWDNOOKI-UHFFFAOYSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91910205) is 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)Cc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is LKUWUHDWDNOOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21-19(25)22-9-6-15(7-10-22)16-8-11-23(13-16)18(24)12-14-2-4-17(20)5-3-14/h2-5,15-16H,6-13H2,1H3,(H,21,25).
What are the key properties of 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91910205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).