N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide

C24H30F2N2O2 — CID 68839233

IUPACN-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H30F2N2O2/c25-20-2-1-15(10-21(20)26)11-22(29)28-5-3-19(4-6-28)23(30)27-24-12-16-7-17(13-24)9-18(8-16)14-24/h1-2,10,16-19H,3-9,11-14H2,(H,27,30)
InChIKeyPCRUEFIDOWGMEZ-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.83
Rot. Bonds4

About N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide

N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide (PubChem CID 68839233) has the molecular formula C24H30F2N2O2 and a molecular weight of 416.51 g/mol. Its IUPAC name is N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide
PubChem CID68839233
Molecular FormulaC24H30F2N2O2
Molecular Weight416.51 g/mol
Exact Mass416.23
IUPAC NameN-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H30F2N2O2/c25-20-2-1-15(10-21(20)26)11-22(29)28-5-3-19(4-6-28)23(30)27-24-12-16-7-17(13-24)9-18(8-16)14-24/h1-2,10,16-19H,3-9,11-14H2,(H,27,30)
InChIKeyPCRUEFIDOWGMEZ-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45019105
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide
CID 68843507
1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 113008999
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 124517329
methyl 1-[2-(4-fluoro-3-hydroxyphenyl)acetyl]piperidine-4-carboxylate
CID 170456736
1-(1-adamantyl)-3-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-oxopropyl]urea
CID 55964394
1-[3-(bromomethyl)piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 80661179
2-(3,4-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999486
2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 124512436
2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone
CID 75503659
1-[2-(4-aminophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 119787390

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide (CID 68839233) is N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is PCRUEFIDOWGMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O2/c25-20-2-1-15(10-21(20)26)11-22(29)28-5-3-19(4-6-28)23(30)27-24-12-16-7-17(13-24)9-18(8-16)14-24/h1-2,10,16-19H,3-9,11-14H2,(H,27,30).
What are the key properties of N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide?
N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-[2-(3,4-difluorophenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 68839233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).