N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide

C23H26Cl2N2O3 — CID 15951868

IUPACN-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H26Cl2N2O3/c1-15(2)13-22(28)27-11-9-16(10-12-27)23(29)26-19-5-3-4-6-21(19)30-20-8-7-17(24)14-18(20)25/h3-8,14-16H,9-13H2,1-2H3,(H,26,29)
InChIKeyCYLBUMXLYWKMKF-UHFFFAOYSA-N
MW449.38 g/mol
LogP6.01
Rot. Bonds6

About N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide

N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide (PubChem CID 15951868) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
PubChem CID15951868
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC NameN-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H26Cl2N2O3/c1-15(2)13-22(28)27-11-9-16(10-12-27)23(29)26-19-5-3-4-6-21(19)30-20-8-7-17(24)14-18(20)25/h3-8,14-16H,9-13H2,1-2H3,(H,26,29)
InChIKeyCYLBUMXLYWKMKF-UHFFFAOYSA-N
XLogP6.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide
CID 71227956
1-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41443439
methyl 4-chloro-3-[[1-(3-methylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008032
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
1-[4-[[2-(2,4-dichlorophenoxy)anilino]-hydroxymethyl]piperidin-1-yl]ethanone
CID 143387963
tert-butyl 4-[[2-(3,5-dichlorophenoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 15952943
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110817700
N-[2-(2-chlorophenoxy)phenyl]cyclohexanecarboxamide
CID 18279329
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide (CID 15951868) is N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide is CC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The InChIKey is CYLBUMXLYWKMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-15(2)13-22(28)27-11-9-16(10-12-27)23(29)26-19-5-3-4-6-21(19)30-20-8-7-17(24)14-18(20)25/h3-8,14-16H,9-13H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide?
N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide has a molecular weight of 449.38 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 15951868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).