N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide

C22H32N2O2 — CID 16896113

IUPACN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1CCN(Cc2ccco2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O2/c25-21(22-11-17-8-18(12-22)10-19(9-17)13-22)23-14-16-3-5-24(6-4-16)15-20-2-1-7-26-20/h1-2,7,16-19H,3-6,8-15H2,(H,23,25)
InChIKeyDMNBOHKBWONAEN-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.82
Rot. Bonds5

About N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide (PubChem CID 16896113) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
PubChem CID16896113
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1CCN(Cc2ccco2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O2/c25-21(22-11-17-8-18(12-22)10-19(9-17)13-22)23-14-16-3-5-24(6-4-16)15-20-2-1-7-26-20/h1-2,7,16-19H,3-6,8-15H2,(H,23,25)
InChIKeyDMNBOHKBWONAEN-UHFFFAOYSA-N
XLogP3.82
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16887280
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 16887272
N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887278
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72887195
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]adamantane-1-carboxamide
CID 51090941
4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53498467
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 16896180
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190863
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3963302

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide (CID 16896113) is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide is O=C(NCC1CCN(Cc2ccco2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide?
The InChIKey is DMNBOHKBWONAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(22-11-17-8-18(12-22)10-19(9-17)13-22)23-14-16-3-5-24(6-4-16)15-20-2-1-7-26-20/h1-2,7,16-19H,3-6,8-15H2,(H,23,25).
What are the key properties of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide?
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 16896113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).