6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide

C21H26FN3O — CID 167940374

IUPAC6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3cccc4cc(F)ccc34)C2)CC1
InChIInChI=1S/C21H26FN3O/c1-24-10-8-18(9-11-24)25-12-7-17(14-25)23-21(26)20-4-2-3-15-13-16(22)5-6-19(15)20/h2-6,13,17-18H,7-12,14H2,1H3,(H,23,26)
InChIKeyOIOPRZKIMLNKOO-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.88
Rot. Bonds3

About 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide

6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 167940374) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID167940374
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3cccc4cc(F)ccc34)C2)CC1
InChIInChI=1S/C21H26FN3O/c1-24-10-8-18(9-11-24)25-12-7-17(14-25)23-21(26)20-4-2-3-15-13-16(22)5-6-19(15)20/h2-6,13,17-18H,7-12,14H2,1H3,(H,23,26)
InChIKeyOIOPRZKIMLNKOO-UHFFFAOYSA-N
XLogP2.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide (CID 167940374) is 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide is CN1CCC(N2CCC(NC(=O)c3cccc4cc(F)ccc34)C2)CC1.
What is the InChIKey of 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is OIOPRZKIMLNKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-24-10-8-18(9-11-24)25-12-7-17(14-25)23-21(26)20-4-2-3-15-13-16(22)5-6-19(15)20/h2-6,13,17-18H,7-12,14H2,1H3,(H,23,26).
What are the key properties of 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167940374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).