1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide

C26H32F2N2O4 — CID 55637704

IUPAC1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1OCC(C)C
InChIInChI=1S/C26H32F2N2O4/c1-16(2)15-34-23-8-5-19(13-24(23)33-4)17(3)29-25(31)18-9-11-30(12-10-18)26(32)21-7-6-20(27)14-22(21)28/h5-8,13-14,16-18H,9-12,15H2,1-4H3,(H,29,31)
InChIKeyBDVWWAKQNVEXDM-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.74
Rot. Bonds8

About 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 55637704) has the molecular formula C26H32F2N2O4 and a molecular weight of 474.55 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID55637704
Molecular FormulaC26H32F2N2O4
Molecular Weight474.55 g/mol
Exact Mass474.23
IUPAC Name1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1OCC(C)C
InChIInChI=1S/C26H32F2N2O4/c1-16(2)15-34-23-8-5-19(13-24(23)33-4)17(3)29-25(31)18-9-11-30(12-10-18)26(32)21-7-6-20(27)14-22(21)28/h5-8,13-14,16-18H,9-12,15H2,1-4H3,(H,29,31)
InChIKeyBDVWWAKQNVEXDM-UHFFFAOYSA-N
XLogP4.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide
CID 55747317
1-ethylsulfonyl-N-[(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 51940554
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 24639274
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 46415294
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42958521
1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55637454
1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 132667894
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide (CID 55637704) is 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide is COc1cc(C(C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1OCC(C)C.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is BDVWWAKQNVEXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N2O4/c1-16(2)15-34-23-8-5-19(13-24(23)33-4)17(3)29-25(31)18-9-11-30(12-10-18)26(32)21-7-6-20(27)14-22(21)28/h5-8,13-14,16-18H,9-12,15H2,1-4H3,(H,29,31).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 474.55 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55637704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).