methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate

C29H31FN2O3 — CID 18723536

IUPACmethyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cccc3ccccc23)CC1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H31FN2O3/c1-35-29(34)27-19-32(28(33)26-8-4-6-22-5-2-3-7-25(22)26)18-23(27)17-31-15-13-21(14-16-31)20-9-11-24(30)12-10-20/h2-12,21,23,27H,13-19H2,1H3
InChIKeyOBYYRVZNUFQRHN-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.72
Rot. Bonds5

About methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate

methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 18723536) has the molecular formula C29H31FN2O3 and a molecular weight of 474.58 g/mol. Its IUPAC name is methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate
PubChem CID18723536
Molecular FormulaC29H31FN2O3
Molecular Weight474.58 g/mol
Exact Mass474.23
IUPAC Namemethyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cccc3ccccc23)CC1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H31FN2O3/c1-35-29(34)27-19-32(28(33)26-8-4-6-22-5-2-3-7-25(22)26)18-23(27)17-31-15-13-21(14-16-31)20-9-11-24(30)12-10-20/h2-12,21,23,27H,13-19H2,1H3
InChIKeyOBYYRVZNUFQRHN-UHFFFAOYSA-N
XLogP4.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate with MolForge

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Related Compounds

1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]ethanone
CID 18723461
[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-(methoxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 18335086
[(4S)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-methylpyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 59923154
[(3R)-3-tert-butyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 59885004
[(3R,4S)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-(1-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 142015711
[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-(1-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 18723490
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 142014913
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;propan-1-ol
CID 142014920
[(3S)-3-cyclopentyl-4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 142015693
[4-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-4-hydroxybutyl] benzoate
CID 18335088
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;2-phenylethanol
CID 142014941
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol
CID 142014921

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate (CID 18723536) is methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CN(C(=O)c2cccc3ccccc23)CC1CN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is OBYYRVZNUFQRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O3/c1-35-29(34)27-19-32(28(33)26-8-4-6-22-5-2-3-7-25(22)26)18-23(27)17-31-15-13-21(14-16-31)20-9-11-24(30)12-10-20/h2-12,21,23,27H,13-19H2,1H3.
What are the key properties of methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate?
methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 474.58 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(naphthalene-1-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 18723536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).