ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide

C13H31N3O — CID 143433022

IUPACethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC.CC.CNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H19N3O.2C2H6/c1-8(2)11-4-6-12(7-5-11)9(13)10-3;2*1-2/h8H,4-7H2,1-3H3,(H,10,13);2*1-2H3
InChIKeyADPIOSPCZPCWKD-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.40
Rot. Bonds1

About ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide

ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 143433022) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID143433022
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Nameethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC.CC.CNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H19N3O.2C2H6/c1-8(2)11-4-6-12(7-5-11)9(13)10-3;2*1-2/h8H,4-7H2,1-3H3,(H,10,13);2*1-2H3
InChIKeyADPIOSPCZPCWKD-UHFFFAOYSA-N
XLogP2.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583
N,4-dimethyl-N-[1-[4-(methylcarbamoyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 143433014
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 170709333
N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103376
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103320
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855
4-tert-butyl-N-methylpiperazine-1-carboxamide
CID 59788280
2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 176724089
1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312419

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide (CID 143433022) is ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide is CC.CC.CNC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is ADPIOSPCZPCWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.2C2H6/c1-8(2)11-4-6-12(7-5-11)9(13)10-3;2*1-2/h8H,4-7H2,1-3H3,(H,10,13);2*1-2H3.
What are the key properties of ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide?
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 245.41 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 143433022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).