N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide

C10H19N3O2 — CID 47127249

IUPACN-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C10H19N3O2/c1-8(2)9(14)12-4-6-13(7-5-12)10(15)11-3/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyRKOZNMFJOCFVAK-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.13
Rot. Bonds1

About N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide

N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide (PubChem CID 47127249) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
PubChem CID47127249
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C10H19N3O2/c1-8(2)9(14)12-4-6-13(7-5-12)10(15)11-3/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyRKOZNMFJOCFVAK-UHFFFAOYSA-N
XLogP0.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
CID 55122271
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 148838219
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583
4-tert-butyl-N-methylpiperazine-1-carboxamide
CID 59788280
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 47102273
2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide?
The IUPAC name of N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide (CID 47127249) is N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide?
The canonical SMILES for N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide is CNC(=O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide?
The InChIKey is RKOZNMFJOCFVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(2)9(14)12-4-6-13(7-5-12)10(15)11-3/h8H,4-7H2,1-3H3,(H,11,15).
What are the key properties of N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide?
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 47127249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).