N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide

C16H20F3N3O2 — CID 110822364

IUPACN-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H20F3N3O2/c1-9(2)20-16(24)22-7-5-10(6-8-22)21-15(23)11-3-4-12(17)14(19)13(11)18/h3-4,9-10H,5-8H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDZZYJVXIPYFTLQ-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.42
Rot. Bonds3

About N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide

N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide (PubChem CID 110822364) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
PubChem CID110822364
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H20F3N3O2/c1-9(2)20-16(24)22-7-5-10(6-8-22)21-15(23)11-3-4-12(17)14(19)13(11)18/h3-4,9-10H,5-8H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDZZYJVXIPYFTLQ-UHFFFAOYSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822363
N-propan-2-yl-4-(2,3,4-trifluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811670
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79749208
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108556788
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556755
2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide
CID 108566670
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
2,3,4-trifluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108556797
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide (CID 110822364) is N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide is CC(C)NC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide?
The InChIKey is DZZYJVXIPYFTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-9(2)20-16(24)22-7-5-10(6-8-22)21-15(23)11-3-4-12(17)14(19)13(11)18/h3-4,9-10H,5-8H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide?
N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 110822364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).