[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone

C23H29FN4O — CID 126782325

IUPAC[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCCCC2)nc1)N1CCC(Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O/c24-19-6-8-20(9-7-19)26-21-11-15-28(16-12-21)23(29)18-5-10-22(25-17-18)27-13-3-1-2-4-14-27/h5-10,17,21,26H,1-4,11-16H2
InChIKeyMZFNZEDCHCXQEE-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.32
Rot. Bonds4

About [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone

[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 126782325) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
PubChem CID126782325
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCCCC2)nc1)N1CCC(Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O/c24-19-6-8-20(9-7-19)26-21-11-15-28(16-12-21)23(29)18-5-10-22(25-17-18)27-13-3-1-2-4-14-27/h5-10,17,21,26H,1-4,11-16H2
InChIKeyMZFNZEDCHCXQEE-UHFFFAOYSA-N
XLogP4.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109159681
N-cyclohexyl-6-piperidin-1-ylpyridin-3-amine
CID 43690330
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
[6-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133337448
[4-(2,4-difluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 166339714
6-(cyclopropylamino)-N-(6-piperidin-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 56799221
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
tert-butyl N-[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 69116044
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
[6-(azepan-1-yl)-3-pyridinyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 112818698
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636

Frequently Asked Questions

What is the IUPAC name of [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone (CID 126782325) is [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone is O=C(c1ccc(N2CCCCCC2)nc1)N1CCC(Nc2ccc(F)cc2)CC1.
What is the InChIKey of [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is MZFNZEDCHCXQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c24-19-6-8-20(9-7-19)26-21-11-15-28(16-12-21)23(29)18-5-10-22(25-17-18)27-13-3-1-2-4-14-27/h5-10,17,21,26H,1-4,11-16H2.
What are the key properties of [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone?
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone has a molecular weight of 396.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 126782325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).