4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide

C14H20ClFN4O — CID 67629598

IUPAC4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N)(Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClFN4O/c1-19(2)13(21)20-7-5-14(17,6-8-20)18-10-3-4-12(16)11(15)9-10/h3-4,9,18H,5-8,17H2,1-2H3
InChIKeySNXRZIWFNCNQCY-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.32
Rot. Bonds2

About 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide

4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 67629598) has the molecular formula C14H20ClFN4O and a molecular weight of 314.79 g/mol. Its IUPAC name is 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID67629598
Molecular FormulaC14H20ClFN4O
Molecular Weight314.79 g/mol
Exact Mass314.13
IUPAC Name4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N)(Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClFN4O/c1-19(2)13(21)20-7-5-14(17,6-8-20)18-10-3-4-12(16)11(15)9-10/h3-4,9,18H,5-8,17H2,1-2H3
InChIKeySNXRZIWFNCNQCY-UHFFFAOYSA-N
XLogP2.32
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-4-(3-chloro-4-fluoroanilino)piperidine-1-carboxylate
CID 67629105
[1-(3-chloro-4-fluoroanilino)cyclohexyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 174388279
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 108974500
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118766001
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971674
(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9276423
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
2-(3-chloro-4-fluoroanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995634
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide (CID 67629598) is 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(N)(Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is SNXRZIWFNCNQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN4O/c1-19(2)13(21)20-7-5-14(17,6-8-20)18-10-3-4-12(16)11(15)9-10/h3-4,9,18H,5-8,17H2,1-2H3.
What are the key properties of 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide?
4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 314.79 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3-chloro-4-fluoroanilino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 67629598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).