2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide

C13H26N4O — CID 63340617

IUPAC2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESCCC(CN)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C13H26N4O/c1-2-12(9-14)17-7-5-16(6-8-17)10-13(18)15-11-3-4-11/h11-12H,2-10,14H2,1H3,(H,15,18)
InChIKeyNQOSYUOKRWNTSY-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.38
Rot. Bonds6

About 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 63340617) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID63340617
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESCCC(CN)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C13H26N4O/c1-2-12(9-14)17-7-5-16(6-8-17)10-13(18)15-11-3-4-11/h11-12H,2-10,14H2,1H3,(H,15,18)
InChIKeyNQOSYUOKRWNTSY-UHFFFAOYSA-N
XLogP-0.38
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide
CID 63340262
3-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 62626114
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63340092
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 134045389
4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658138
N-cyclopropyl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 127274229
4-amino-N-cyclopropyl-3-piperidin-1-ylbutanamide
CID 66431608
4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66429992
N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63339437
4-amino-3-(4-cyclopentylpiperazin-1-yl)-N-cyclopropylbutanamide
CID 66432440
methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
CID 31689500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide (CID 63340617) is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide is CCC(CN)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is NQOSYUOKRWNTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-2-12(9-14)17-7-5-16(6-8-17)10-13(18)15-11-3-4-11/h11-12H,2-10,14H2,1H3,(H,15,18).
What are the key properties of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 254.38 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 63340617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).