N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide

C10H20N4O2 — CID 104976988

IUPACN-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESCCNC(=O)NC(=O)CN1CCN[C@@H](C)C1
InChIInChI=1S/C10H20N4O2/c1-3-11-10(16)13-9(15)7-14-5-4-12-8(2)6-14/h8,12H,3-7H2,1-2H3,(H2,11,13,15,16)/t8-/m0/s1
InChIKeyQKDLVMWIJNIVSN-QMMMGPOBSA-N
MW228.30 g/mol
LogP-0.87
Rot. Bonds3

About N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide

N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104976988) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
PubChem CID104976988
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESCCNC(=O)NC(=O)CN1CCN[C@@H](C)C1
InChIInChI=1S/C10H20N4O2/c1-3-11-10(16)13-9(15)7-14-5-4-12-8(2)6-14/h8,12H,3-7H2,1-2H3,(H2,11,13,15,16)/t8-/m0/s1
InChIKeyQKDLVMWIJNIVSN-QMMMGPOBSA-N
XLogP-0.87
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976909
N-(ethylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898104
ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate
CID 65450366
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 25376066
2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
CID 104975433
2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide
CID 65249628
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)acetamide
CID 124744214
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
CID 104975759
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975687
ethyl 4-[[2-[(3S)-3-methylpiperazin-1-yl]acetyl]amino]butanoate
CID 104976711
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide (CID 104976988) is N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide is CCNC(=O)NC(=O)CN1CCN[C@@H](C)C1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is QKDLVMWIJNIVSN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-11-10(16)13-9(15)7-14-5-4-12-8(2)6-14/h8,12H,3-7H2,1-2H3,(H2,11,13,15,16)/t8-/m0/s1.
What are the key properties of N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 228.30 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104976988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).