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

C22H28FN3O — CID 167818237

IUPAC4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCN1CCC(N2CCC(N(C)C(=O)c3ccc(F)c4ccccc34)C2)CC1
InChIInChI=1S/C22H28FN3O/c1-24-12-9-16(10-13-24)26-14-11-17(15-26)25(2)22(27)20-7-8-21(23)19-6-4-3-5-18(19)20/h3-8,16-17H,9-15H2,1-2H3
InChIKeyCOZXAOGWXPESKS-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.22
Rot. Bonds3

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

4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 167818237) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID167818237
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCN1CCC(N2CCC(N(C)C(=O)c3ccc(F)c4ccccc34)C2)CC1
InChIInChI=1S/C22H28FN3O/c1-24-12-9-16(10-13-24)26-14-11-17(15-26)25(2)22(27)20-7-8-21(23)19-6-4-3-5-18(19)20/h3-8,16-17H,9-15H2,1-2H3
InChIKeyCOZXAOGWXPESKS-UHFFFAOYSA-N
XLogP3.22
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide (CID 167818237) is 4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide is CN1CCC(N2CCC(N(C)C(=O)c3ccc(F)c4ccccc34)C2)CC1.
What is the InChIKey of 4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is COZXAOGWXPESKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-24-12-9-16(10-13-24)26-14-11-17(15-26)25(2)22(27)20-7-8-21(23)19-6-4-3-5-18(19)20/h3-8,16-17H,9-15H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167818237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).