N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone

C21H47N3O2 — CID 169268423

IUPACN-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOC(C)C)CC1.CCC.CCCN(C)CCC
InChIInChI=1S/C11H22N2O2.C7H17N.C3H8/c1-10(2)15-9-8-12-4-6-13(7-5-12)11(3)14;1-4-6-8(3)7-5-2;1-3-2/h10H,4-9H2,1-3H3;4-7H2,1-3H3;3H2,1-2H3
InChIKeyRENPBEYPCKFRDP-UHFFFAOYSA-N
MW373.63 g/mol
LogP3.73
Rot. Bonds8

About N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone

N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone (PubChem CID 169268423) has the molecular formula C21H47N3O2 and a molecular weight of 373.63 g/mol. Its IUPAC name is N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound NameN-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
PubChem CID169268423
Molecular FormulaC21H47N3O2
Molecular Weight373.63 g/mol
Exact Mass373.37
IUPAC NameN-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOC(C)C)CC1.CCC.CCCN(C)CCC
InChIInChI=1S/C11H22N2O2.C7H17N.C3H8/c1-10(2)15-9-8-12-4-6-13(7-5-12)11(3)14;1-4-6-8(3)7-5-2;1-3-2/h10H,4-9H2,1-3H3;4-7H2,1-3H3;3H2,1-2H3
InChIKeyRENPBEYPCKFRDP-UHFFFAOYSA-N
XLogP3.73
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 129082774
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
CID 59289508
3-amino-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119891709
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371299
N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
CID 86923511
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
2-amino-2-(oxan-4-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 120800962
1-[4-(2-methylsulfanyloxyethyl)piperazin-1-yl]ethanone
CID 123363082
2-[ethyl-[3-[[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026344
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone (CID 169268423) is N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CCOC(C)C)CC1.CCC.CCCN(C)CCC.
What is the InChIKey of N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone?
The InChIKey is RENPBEYPCKFRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C7H17N.C3H8/c1-10(2)15-9-8-12-4-6-13(7-5-12)11(3)14;1-4-6-8(3)7-5-2;1-3-2/h10H,4-9H2,1-3H3;4-7H2,1-3H3;3H2,1-2H3.
What are the key properties of N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone?
N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone has a molecular weight of 373.63 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 169268423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).