4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide

C23H32N4O3 — CID 86879884

IUPAC4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3CN(C)C(C)C)CC2)o1
InChIInChI=1S/C23H32N4O3/c1-17(2)25(4)16-20-8-6-5-7-19(20)15-24-23(29)27-13-11-26(12-14-27)22(28)21-10-9-18(3)30-21/h5-10,17H,11-16H2,1-4H3,(H,24,29)
InChIKeyZOXWEYDBKZDLEK-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.10
Rot. Bonds6

About 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide

4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 86879884) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide
PubChem CID86879884
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3CN(C)C(C)C)CC2)o1
InChIInChI=1S/C23H32N4O3/c1-17(2)25(4)16-20-8-6-5-7-19(20)15-24-23(29)27-13-11-26(12-14-27)22(28)21-10-9-18(3)30-21/h5-10,17H,11-16H2,1-4H3,(H,24,29)
InChIKeyZOXWEYDBKZDLEK-UHFFFAOYSA-N
XLogP3.10
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 87003932
4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 86880960
4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 166181138
3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide
CID 110896024
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879794
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879934
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564545
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46455661
4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
CID 86879955
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 86879860

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide (CID 86879884) is 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3CN(C)C(C)C)CC2)o1.
What is the InChIKey of 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is ZOXWEYDBKZDLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17(2)25(4)16-20-8-6-5-7-19(20)15-24-23(29)27-13-11-26(12-14-27)22(28)21-10-9-18(3)30-21/h5-10,17H,11-16H2,1-4H3,(H,24,29).
What are the key properties of 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide?
4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86879884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).