N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C24H31FN2O2 — CID 8923714

IUPACN-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN2O2/c25-21-3-1-20(2-4-21)23(29)27-7-5-19(6-8-27)22(28)26-15-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-19H,5-15H2,(H,26,28)
InChIKeyWLYJJDSYZLLSNN-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.01
Rot. Bonds4

About N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 8923714) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID8923714
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN2O2/c25-21-3-1-20(2-4-21)23(29)27-7-5-19(6-8-27)22(28)26-15-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-19H,5-15H2,(H,26,28)
InChIKeyWLYJJDSYZLLSNN-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 47022910
N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27845585
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide
CID 167754057
N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide
CID 68843507
1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 124614187
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 17497247
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide
CID 17471154
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 32764270
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
CID 131891851

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 8923714) is N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is WLYJJDSYZLLSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c25-21-3-1-20(2-4-21)23(29)27-7-5-19(6-8-27)22(28)26-15-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-19H,5-15H2,(H,26,28).
What are the key properties of N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 398.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 8923714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).