N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide

C21H21ClF2N2O4 — CID 112824546

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H21ClF2N2O4/c1-29-16-5-2-13(3-6-16)19(27)14-8-10-26(11-9-14)21(28)25-15-4-7-18(17(22)12-15)30-20(23)24/h2-7,12,14,20H,8-11H2,1H3,(H,25,28)
InChIKeyHMERYUBEXGPMDM-UHFFFAOYSA-N
MW438.86 g/mol
LogP5.08
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide (PubChem CID 112824546) has the molecular formula C21H21ClF2N2O4 and a molecular weight of 438.86 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
PubChem CID112824546
Molecular FormulaC21H21ClF2N2O4
Molecular Weight438.86 g/mol
Exact Mass438.12
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H21ClF2N2O4/c1-29-16-5-2-13(3-6-16)19(27)14-8-10-26(11-9-14)21(28)25-15-4-7-18(17(22)12-15)30-20(23)24/h2-7,12,14,20H,8-11H2,1H3,(H,25,28)
InChIKeyHMERYUBEXGPMDM-UHFFFAOYSA-N
XLogP5.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.86
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824394
N-(3-benzyl-4-methoxyphenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112825312
N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide
CID 84599160
N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 110021826
N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824480
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-piperidin-3-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167977724
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 55874085
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 46423597
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
N-[4-chloro-3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75451518

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide (CID 112824546) is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The InChIKey is HMERYUBEXGPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O4/c1-29-16-5-2-13(3-6-16)19(27)14-8-10-26(11-9-14)21(28)25-15-4-7-18(17(22)12-15)30-20(23)24/h2-7,12,14,20H,8-11H2,1H3,(H,25,28).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide has a molecular weight of 438.86 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 112824546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).