[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone

C20H29ClFN3O — CID 174388279

IUPAC[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2(Nc3ccc(F)c(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C20H29ClFN3O/c1-24(2)16-8-12-25(13-9-16)19(26)20(10-4-3-5-11-20)23-15-6-7-18(22)17(21)14-15/h6-7,14,16,23H,3-5,8-13H2,1-2H3
InChIKeyUHNLXCNMSNXNDD-UHFFFAOYSA-N
MW381.92 g/mol
LogP4.15
Rot. Bonds4

About [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone

[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 174388279) has the molecular formula C20H29ClFN3O and a molecular weight of 381.92 g/mol. Its IUPAC name is [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID174388279
Molecular FormulaC20H29ClFN3O
Molecular Weight381.92 g/mol
Exact Mass381.20
IUPAC Name[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2(Nc3ccc(F)c(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C20H29ClFN3O/c1-24(2)16-8-12-25(13-9-16)19(26)20(10-4-3-5-11-20)23-15-6-7-18(22)17(21)14-15/h6-7,14,16,23H,3-5,8-13H2,1-2H3
InChIKeyUHNLXCNMSNXNDD-UHFFFAOYSA-N
XLogP4.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 67629598
N-(3-chloro-4-fluorophenyl)-3-[(4R)-4-(dimethylamino)azepan-1-yl]propanamide
CID 124755083
N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971674
methyl 4-amino-4-(3-chloro-4-fluoroanilino)piperidine-1-carboxylate
CID 67629105
(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 166781988
1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 108974500
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
3-chloro-4-fluoro-N-[1-(piperidin-1-ylmethyl)cyclohexyl]aniline
CID 174369452
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide
CID 159674801

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 174388279) is [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)C2(Nc3ccc(F)c(Cl)c3)CCCCC2)CC1.
What is the InChIKey of [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is UHNLXCNMSNXNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClFN3O/c1-24(2)16-8-12-25(13-9-16)19(26)20(10-4-3-5-11-20)23-15-6-7-18(22)17(21)14-15/h6-7,14,16,23H,3-5,8-13H2,1-2H3.
What are the key properties of [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 381.92 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 174388279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).