(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone

C21H25FN2O2 — CID 19690037

IUPAC(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
SMILESCOc1ccccc1NCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-26-20-5-3-2-4-19(20)23-12-15-24-13-10-17(11-14-24)21(25)16-6-8-18(22)9-7-16/h2-9,17,23H,10-15H2,1H3
InChIKeyFLBRMBFCQUIUIF-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.84
Rot. Bonds7

About (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone (PubChem CID 19690037) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
PubChem CID19690037
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
SMILESCOc1ccccc1NCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-26-20-5-3-2-4-19(20)23-12-15-24-13-10-17(11-14-24)21(25)16-6-8-18(22)9-7-16/h2-9,17,23H,10-15H2,1H3
InChIKeyFLBRMBFCQUIUIF-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one
CID 18780670
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methoxy-5-methylsulfanylbenzamide;hydrochloride
CID 70425777
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one;hydrochloride
CID 18780669
2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide
CID 88655694
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide
CID 19689967
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-methoxy-N-(2-methoxyphenyl)benzamide
CID 22357045
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(2-methylpropanoylamino)benzamide
CID 19690046
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid
CID 19689966

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone (CID 19690037) is (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone is COc1ccccc1NCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone?
The InChIKey is FLBRMBFCQUIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-26-20-5-3-2-4-19(20)23-12-15-24-13-10-17(11-14-24)21(25)16-6-8-18(22)9-7-16/h2-9,17,23H,10-15H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 19690037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).