benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate

C23H25FN2O3 — CID 141232936

IUPACbenzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate
SMILESO=C1NCCC1C1(c2ccc(F)cc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H25FN2O3/c24-19-8-6-18(7-9-19)23(20-10-13-25-21(20)27)11-14-26(15-12-23)22(28)29-16-17-4-2-1-3-5-17/h1-9,20H,10-16H2,(H,25,27)
InChIKeyNAMNLLQIMPYBTM-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.63
Rot. Bonds4

About benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate

benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate (PubChem CID 141232936) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate
PubChem CID141232936
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Namebenzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate
SMILESO=C1NCCC1C1(c2ccc(F)cc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H25FN2O3/c24-19-8-6-18(7-9-19)23(20-10-13-25-21(20)27)11-14-26(15-12-23)22(28)29-16-17-4-2-1-3-5-17/h1-9,20H,10-16H2,(H,25,27)
InChIKeyNAMNLLQIMPYBTM-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl aziridine-1-carboxylate;silane
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CID 11154253

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate (CID 141232936) is benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate is O=C1NCCC1C1(c2ccc(F)cc2)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate?
The InChIKey is NAMNLLQIMPYBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c24-19-8-6-18(7-9-19)23(20-10-13-25-21(20)27)11-14-26(15-12-23)22(28)29-16-17-4-2-1-3-5-17/h1-9,20H,10-16H2,(H,25,27).
What are the key properties of benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate?
benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate has a molecular weight of 396.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 141232936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).