N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide

C23H32N2O3 — CID 24818953

IUPACN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCOc1ccc(CCN2CCCC(CN(C)C(=O)c3cc(C)oc3C)C2)cc1
InChIInChI=1S/C23H32N2O3/c1-17-14-22(18(2)28-17)23(26)24(3)15-20-6-5-12-25(16-20)13-11-19-7-9-21(27-4)10-8-19/h7-10,14,20H,5-6,11-13,15-16H2,1-4H3
InChIKeyWJSPKSFNNSBOLW-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.93
Rot. Bonds7

About N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide

N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide (PubChem CID 24818953) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide
PubChem CID24818953
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCOc1ccc(CCN2CCCC(CN(C)C(=O)c3cc(C)oc3C)C2)cc1
InChIInChI=1S/C23H32N2O3/c1-17-14-22(18(2)28-17)23(26)24(3)15-20-6-5-12-25(16-20)13-11-19-7-9-21(27-4)10-8-19/h7-10,14,20H,5-6,11-13,15-16H2,1-4H3
InChIKeyWJSPKSFNNSBOLW-UHFFFAOYSA-N
XLogP3.93
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-Dimethyl-3-furoyl)morpholine
CID 831995
(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
(2,5-Dimethylfuran-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 7661798
[1-(3-Furoyl)-3-piperidinyl](3-isopropoxyphenyl)methanone
CID 16189901
3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
CID 18108187
N-benzyl-2-methylfuran-3-carboxamide
CID 690372
1-(Diphenylmethyl)-4-(2-methyl-3-furoyl)piperazine
CID 1293145
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
CID 2932803
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
3-furyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489823

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide (CID 24818953) is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide is COc1ccc(CCN2CCCC(CN(C)C(=O)c3cc(C)oc3C)C2)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide?
The InChIKey is WJSPKSFNNSBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-14-22(18(2)28-17)23(26)24(3)15-20-6-5-12-25(16-20)13-11-19-7-9-21(27-4)10-8-19/h7-10,14,20H,5-6,11-13,15-16H2,1-4H3.
What are the key properties of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide?
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 24818953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).