4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide

C16H21F2N3O2 — CID 110822363

IUPAC4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H21F2N3O2/c1-10(2)19-16(23)21-7-5-12(6-8-21)20-15(22)11-3-4-13(17)14(18)9-11/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyYZLMZTSWLFMDAH-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.28
Rot. Bonds3

About 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide

4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 110822363) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID110822363
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Name4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H21F2N3O2/c1-10(2)19-16(23)21-7-5-12(6-8-21)20-15(22)11-3-4-13(17)14(18)9-11/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyYZLMZTSWLFMDAH-UHFFFAOYSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
CID 110822364
N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide
CID 103706469
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97448022
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789048
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide (CID 110822363) is 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is YZLMZTSWLFMDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-10(2)19-16(23)21-7-5-12(6-8-21)20-15(22)11-3-4-13(17)14(18)9-11/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 110822363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).