N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide

C20H30N4O4 — CID 87018281

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide
SMILESCc1cc(C(=O)N2CCN(C(C)C(=O)N(C)CC(=O)NC3CC3)CC2)c(C)o1
InChIInChI=1S/C20H30N4O4/c1-13-11-17(15(3)28-13)20(27)24-9-7-23(8-10-24)14(2)19(26)22(4)12-18(25)21-16-5-6-16/h11,14,16H,5-10,12H2,1-4H3,(H,21,25)
InChIKeyRIZGMMAJZXBZEY-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.78
Rot. Bonds6

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 87018281) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide
PubChem CID87018281
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide
SMILESCc1cc(C(=O)N2CCN(C(C)C(=O)N(C)CC(=O)NC3CC3)CC2)c(C)o1
InChIInChI=1S/C20H30N4O4/c1-13-11-17(15(3)28-13)20(27)24-9-7-23(8-10-24)14(2)19(26)22(4)12-18(25)21-16-5-6-16/h11,14,16H,5-10,12H2,1-4H3,(H,21,25)
InChIKeyRIZGMMAJZXBZEY-UHFFFAOYSA-N
XLogP0.78
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 52531122
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylmethoxypiperidin-1-yl)propanamide
CID 86919311
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 120775612
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95307830
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63340905
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
(2S)-2-(azepan-1-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]-N-methylpropanamide
CID 97218782
[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 43251237
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide (CID 87018281) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide is Cc1cc(C(=O)N2CCN(C(C)C(=O)N(C)CC(=O)NC3CC3)CC2)c(C)o1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is RIZGMMAJZXBZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-13-11-17(15(3)28-13)20(27)24-9-7-23(8-10-24)14(2)19(26)22(4)12-18(25)21-16-5-6-16/h11,14,16H,5-10,12H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 390.48 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 87018281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).