N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide

C23H28F2N2O2 — CID 68843507

IUPACN-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C23H28F2N2O2/c24-19-8-18(9-20(25)10-19)22(29)27-3-1-17(2-4-27)21(28)26-23-11-14-5-15(12-23)7-16(6-14)13-23/h8-10,14-17H,1-7,11-13H2,(H,26,28)
InChIKeyXDRMFWVCAPCOTI-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.90
Rot. Bonds3

About N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide

N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 68843507) has the molecular formula C23H28F2N2O2 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID68843507
Molecular FormulaC23H28F2N2O2
Molecular Weight402.49 g/mol
Exact Mass402.21
IUPAC NameN-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C23H28F2N2O2/c24-19-8-18(9-20(25)10-19)22(29)27-3-1-17(2-4-27)21(28)26-23-11-14-5-15(12-23)7-16(6-14)13-23/h8-10,14-17H,1-7,11-13H2,(H,26,28)
InChIKeyXDRMFWVCAPCOTI-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 68839233
N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 8923714
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45019105
1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
CID 119138735
(3-bromo-5-fluorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 63390803
(3S)-N-(1-adamantyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 27650304
(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide
CID 99970201
(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60818593
N-(1-adamantyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 41466824
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
(3-fluoro-5-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559740

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide (CID 68843507) is N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is XDRMFWVCAPCOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O2/c24-19-8-18(9-20(25)10-19)22(29)27-3-1-17(2-4-27)21(28)26-23-11-14-5-15(12-23)7-16(6-14)13-23/h8-10,14-17H,1-7,11-13H2,(H,26,28).
What are the key properties of N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide?
N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 68843507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).