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

C23H28N4O4 — CID 86879934

IUPAC4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCCCC4=O)cc3)CC2)o1
InChIInChI=1S/C23H28N4O4/c1-17-5-10-20(31-17)22(29)25-12-14-26(15-13-25)23(30)24-16-18-6-8-19(9-7-18)27-11-3-2-4-21(27)28/h5-10H,2-4,11-16H2,1H3,(H,24,30)
InChIKeyHUOMWRQNFBOWOJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.77
Rot. Bonds4

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

4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 86879934) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID86879934
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCCCC4=O)cc3)CC2)o1
InChIInChI=1S/C23H28N4O4/c1-17-5-10-20(31-17)22(29)25-12-14-26(15-13-25)23(30)24-16-18-6-8-19(9-7-18)27-11-3-2-4-21(27)28/h5-10H,2-4,11-16H2,1H3,(H,24,30)
InChIKeyHUOMWRQNFBOWOJ-UHFFFAOYSA-N
XLogP2.77
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879794
4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide
CID 86879967
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 30691790
4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 166181138
4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 119749212
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 30691880
4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide
CID 86879884
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (CID 86879934) is 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCCCC4=O)cc3)CC2)o1.
What is the InChIKey of 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is HUOMWRQNFBOWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-17-5-10-20(31-17)22(29)25-12-14-26(15-13-25)23(30)24-16-18-6-8-19(9-7-18)27-11-3-2-4-21(27)28/h5-10H,2-4,11-16H2,1H3,(H,24,30).
What are the key properties of 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.77, 4 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-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86879934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).