2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide

C20H29FN4O — CID 166243013

IUPAC2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)N3CCC3c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H29FN4O/c1-23-10-7-18(8-11-23)24-12-6-17(14-24)22-20(26)25-13-9-19(25)15-2-4-16(21)5-3-15/h2-5,17-19H,6-14H2,1H3,(H,22,26)
InChIKeyJXLKXVQRYSGBRB-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide

2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide (PubChem CID 166243013) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide
PubChem CID166243013
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)N3CCC3c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H29FN4O/c1-23-10-7-18(8-11-23)24-12-6-17(14-24)22-20(26)25-13-9-19(25)15-2-4-16(21)5-3-15/h2-5,17-19H,6-14H2,1H3,(H,22,26)
InChIKeyJXLKXVQRYSGBRB-UHFFFAOYSA-N
XLogP2.45
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167940374
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95729352
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29085480
N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 154793256
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide
CID 118770078
2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167760711

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide (CID 166243013) is 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide is CN1CCC(N2CCC(NC(=O)N3CCC3c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide?
The InChIKey is JXLKXVQRYSGBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-23-10-7-18(8-11-23)24-12-6-17(14-24)22-20(26)25-13-9-19(25)15-2-4-16(21)5-3-15/h2-5,17-19H,6-14H2,1H3,(H,22,26).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide?
2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 166243013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).