N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

C21H28N2O2 — CID 119044723

IUPACN-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCCc1cccc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1
InChIInChI=1S/C21H28N2O2/c1-4-17-6-5-7-18(13-17)14-23-10-8-19(9-11-23)22-21(24)20-12-15(2)25-16(20)3/h5-7,12-13,19H,4,8-11,14H2,1-3H3,(H,22,24)
InChIKeyMHDWRPKVOJFGPP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.85
Rot. Bonds5

About N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 119044723) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID119044723
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCCc1cccc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1
InChIInChI=1S/C21H28N2O2/c1-4-17-6-5-7-18(13-17)14-23-10-8-19(9-11-23)22-21(24)20-12-15(2)25-16(20)3/h5-7,12-13,19H,4,8-11,14H2,1-3H3,(H,22,24)
InChIKeyMHDWRPKVOJFGPP-UHFFFAOYSA-N
XLogP3.85
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71879738
N-[4-(ethylamino)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 43653345
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 42780010
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 124844447
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
CID 51130056

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 119044723) is N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is CCc1cccc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1.
What is the InChIKey of N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is MHDWRPKVOJFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-17-6-5-7-18(13-17)14-23-10-8-19(9-11-23)22-21(24)20-12-15(2)25-16(20)3/h5-7,12-13,19H,4,8-11,14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 119044723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).