2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide

C13H26N4O — CID 63339686

IUPAC2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC(CN)N1CCN(CC(=O)N(C)C2CC2)CC1
InChIInChI=1S/C13H26N4O/c1-11(9-14)17-7-5-16(6-8-17)10-13(18)15(2)12-3-4-12/h11-12H,3-10,14H2,1-2H3
InChIKeyMSJGRMOXCYFIDI-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.43
Rot. Bonds5

About 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide

2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 63339686) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID63339686
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC(CN)N1CCN(CC(=O)N(C)C2CC2)CC1
InChIInChI=1S/C13H26N4O/c1-11(9-14)17-7-5-16(6-8-17)10-13(18)15(2)12-3-4-12/h11-12H,3-10,14H2,1-2H3
InChIKeyMSJGRMOXCYFIDI-UHFFFAOYSA-N
XLogP-0.43
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 63760735
1-(1-aminopropan-2-yl)-N-cyclopropyl-N-methylpiperidin-4-amine
CID 83835132
N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
CID 111489805
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
CID 111106282
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
2-[4-(cyclopentylmethyl)piperazin-1-yl]propan-1-amine
CID 63339559
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride
CID 119876752
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 115966781
2-(4-aminopiperidin-1-yl)-N-methyl-N-(oxan-4-yl)acetamide
CID 79328227
2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 81458982

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide (CID 63339686) is 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide is CC(CN)N1CCN(CC(=O)N(C)C2CC2)CC1.
What is the InChIKey of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is MSJGRMOXCYFIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(9-14)17-7-5-16(6-8-17)10-13(18)15(2)12-3-4-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide?
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 254.38 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 63339686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).