N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

C22H31N3O3 — CID 8932536

IUPACN-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31N3O3/c26-20(23-15-22-11-16-8-17(12-22)10-18(9-16)13-22)14-24-3-5-25(6-4-24)21(27)19-2-1-7-28-19/h1-2,7,16-18H,3-6,8-15H2,(H,23,26)
InChIKeyIRVSWBRVFRAGJZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.37
Rot. Bonds5

About N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 8932536) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID8932536
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31N3O3/c26-20(23-15-22-11-16-8-17(12-22)10-18(9-16)13-22)14-24-3-5-25(6-4-24)21(27)19-2-1-7-28-19/h1-2,7,16-18H,3-6,8-15H2,(H,23,26)
InChIKeyIRVSWBRVFRAGJZ-UHFFFAOYSA-N
XLogP2.37
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylmethyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902332
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37375212
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[2-(dimethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 108994620
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 38910053
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 5205501

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 8932536) is N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccco2)CC1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is IRVSWBRVFRAGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-20(23-15-22-11-16-8-17(12-22)10-18(9-16)13-22)14-24-3-5-25(6-4-24)21(27)19-2-1-7-28-19/h1-2,7,16-18H,3-6,8-15H2,(H,23,26).
What are the key properties of N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8932536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).