N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C23H32N2O3 — CID 51113136

IUPACN-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O3/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)24-21(26)19-2-5-25(6-3-19)22(27)20-4-7-28-14-20/h4,7,14-19H,2-3,5-6,8-13H2,1H3,(H,24,26)
InChIKeyQOKVUSWJAOEGKT-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.85
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 51113136) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID51113136
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O3/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)24-21(26)19-2-5-25(6-3-19)22(27)20-4-7-28-14-20/h4,7,14-19H,2-3,5-6,8-13H2,1H3,(H,24,26)
InChIKeyQOKVUSWJAOEGKT-UHFFFAOYSA-N
XLogP3.85
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 46560202
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 47022910
N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26523138
1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
CID 134048684
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136516484
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 92667712
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566755
N-[1-(1-adamantyl)ethyl]-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
CID 46272171
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 51113136) is N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is QOKVUSWJAOEGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)24-21(26)19-2-5-25(6-3-19)22(27)20-4-7-28-14-20/h4,7,14-19H,2-3,5-6,8-13H2,1H3,(H,24,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 51113136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).