(4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone

C22H25ClFN3O — CID 143257051

IUPAC(4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(N2CCC(Nc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H25ClFN3O/c23-17-3-1-16(2-4-17)22(28)27-14-11-21(15-27)26-12-9-20(10-13-26)25-19-7-5-18(24)6-8-19/h1-8,20-21,25H,9-15H2
InChIKeyBASQTXPJORFGJJ-UHFFFAOYSA-N
MW401.91 g/mol
LogP4.27
Rot. Bonds4

About (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone

(4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone (PubChem CID 143257051) has the molecular formula C22H25ClFN3O and a molecular weight of 401.91 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone
PubChem CID143257051
Molecular FormulaC22H25ClFN3O
Molecular Weight401.91 g/mol
Exact Mass401.17
IUPAC Name(4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(N2CCC(Nc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H25ClFN3O/c23-17-3-1-16(2-4-17)22(28)27-14-11-21(15-27)26-12-9-20(10-13-26)25-19-7-5-18(24)6-8-19/h1-8,20-21,25H,9-15H2
InChIKeyBASQTXPJORFGJJ-UHFFFAOYSA-N
XLogP4.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 80552612
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
[4-[4-(4-fluorophenoxy)phenoxy]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24794465
1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 87786267
2-[4-[[(3R)-1-(4-chlorobenzoyl)pyrrolidin-3-yl]amino]phenyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 87790481
[4-(3-chloro-4-fluorophenoxy)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 68811316
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
(4-chlorophenyl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616739
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[(9aS)-2-(4-chlorobenzoyl)-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-(4-fluorophenyl)methanone
CID 124876358
(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 100693749
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone (CID 143257051) is (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(N2CCC(Nc3ccc(F)cc3)CC2)C1.
What is the InChIKey of (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone?
The InChIKey is BASQTXPJORFGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O/c23-17-3-1-16(2-4-17)22(28)27-14-11-21(15-27)26-12-9-20(10-13-26)25-19-7-5-18(24)6-8-19/h1-8,20-21,25H,9-15H2.
What are the key properties of (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone?
(4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone has a molecular weight of 401.91 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 143257051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).