(4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone

C23H33N3O2 — CID 42750794

IUPAC(4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
SMILESCCN1CCN(C(=O)c2ccc(CN(Cc3cccc(C)c3)C(C)C)o2)CC1
InChIInChI=1S/C23H33N3O2/c1-5-24-11-13-25(14-12-24)23(27)22-10-9-21(28-22)17-26(18(2)3)16-20-8-6-7-19(4)15-20/h6-10,15,18H,5,11-14,16-17H2,1-4H3
InChIKeyDFPRYPFDHQSAOX-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.78
Rot. Bonds7

About (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone

(4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone (PubChem CID 42750794) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
PubChem CID42750794
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name(4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
SMILESCCN1CCN(C(=O)c2ccc(CN(Cc3cccc(C)c3)C(C)C)o2)CC1
InChIInChI=1S/C23H33N3O2/c1-5-24-11-13-25(14-12-24)23(27)22-10-9-21(28-22)17-26(18(2)3)16-20-8-6-7-19(4)15-20/h6-10,15,18H,5,11-14,16-17H2,1-4H3
InChIKeyDFPRYPFDHQSAOX-UHFFFAOYSA-N
XLogP3.78
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone with MolForge

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Related Compounds

5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 3273528
ethyl 4-[5-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 42750698
(4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone
CID 3312985
[5-[[(4-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42750611
[5-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 4537846
[5-[[benzyl(propan-2-yl)amino]methyl]furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42659378
3,4-dihydro-1H-isoquinolin-2-yl-[5-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
CID 42750729
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 3346175
2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione
CID 155515077
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325278
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone (CID 42750794) is (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone is CCN1CCN(C(=O)c2ccc(CN(Cc3cccc(C)c3)C(C)C)o2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone?
The InChIKey is DFPRYPFDHQSAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-5-24-11-13-25(14-12-24)23(27)22-10-9-21(28-22)17-26(18(2)3)16-20-8-6-7-19(4)15-20/h6-10,15,18H,5,11-14,16-17H2,1-4H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone?
(4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone has a molecular weight of 383.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone is sourced from PubChem (CID 42750794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).