4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide

C21H34N4O3 — CID 87000118

IUPAC4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCN(CC(=O)N3CC(C)CC(C)C3)CC2)o1
InChIInChI=1S/C21H34N4O3/c1-15-11-16(2)13-25(12-15)20(26)14-23-7-9-24(10-8-23)21(27)22-18(4)19-6-5-17(3)28-19/h5-6,15-16,18H,7-14H2,1-4H3,(H,22,27)
InChIKeyYQPSJNBTJBLNDE-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.48
Rot. Bonds4

About 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide

4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 87000118) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID87000118
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCN(CC(=O)N3CC(C)CC(C)C3)CC2)o1
InChIInChI=1S/C21H34N4O3/c1-15-11-16(2)13-25(12-15)20(26)14-23-7-9-24(10-8-23)21(27)22-18(4)19-6-5-17(3)28-19/h5-6,15-16,18H,7-14H2,1-4H3,(H,22,27)
InChIKeyYQPSJNBTJBLNDE-UHFFFAOYSA-N
XLogP2.48
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583197
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583196
4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 95134239
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 78892011
N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 87000126
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30725336
4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 25437306
N-(2-chlorophenyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 51250491
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589341
(2S)-N-benzhydryl-2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 30625205
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60597945
(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 129430027

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide (CID 87000118) is 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide is Cc1ccc(C(C)NC(=O)N2CCN(CC(=O)N3CC(C)CC(C)C3)CC2)o1.
What is the InChIKey of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is YQPSJNBTJBLNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-15-11-16(2)13-25(12-15)20(26)14-23-7-9-24(10-8-23)21(27)22-18(4)19-6-5-17(3)28-19/h5-6,15-16,18H,7-14H2,1-4H3,(H,22,27).
What are the key properties of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide?
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 87000118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).