N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide

C21H21F3N2O4 — CID 108556755

IUPACN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C21H21F3N2O4/c1-29-15-4-3-5-16(30-2)17(15)21(28)26-10-8-12(9-11-26)25-20(27)13-6-7-14(22)19(24)18(13)23/h3-7,12H,8-11H2,1-2H3,(H,25,27)
InChIKeyVCTIOXJLRDPHKV-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.16
Rot. Bonds5

About N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide (PubChem CID 108556755) has the molecular formula C21H21F3N2O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
PubChem CID108556755
Molecular FormulaC21H21F3N2O4
Molecular Weight422.40 g/mol
Exact Mass422.15
IUPAC NameN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C21H21F3N2O4/c1-29-15-4-3-5-16(30-2)17(15)21(28)26-10-8-12(9-11-26)25-20(27)13-6-7-14(22)19(24)18(13)23/h3-7,12H,8-11H2,1-2H3,(H,25,27)
InChIKeyVCTIOXJLRDPHKV-UHFFFAOYSA-N
XLogP3.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
CID 108556719
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
CID 110822364
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide (CID 108556755) is N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide is COc1cccc(OC)c1C(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide?
The InChIKey is VCTIOXJLRDPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4/c1-29-15-4-3-5-16(30-2)17(15)21(28)26-10-8-12(9-11-26)25-20(27)13-6-7-14(22)19(24)18(13)23/h3-7,12H,8-11H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide?
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide has a molecular weight of 422.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 108556755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).