4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide

C14H30N4O — CID 63892035

IUPAC4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide
SMILESCCC(CCN)N1CCN(CCCC(=O)NC)CC1
InChIInChI=1S/C14H30N4O/c1-3-13(6-7-15)18-11-9-17(10-12-18)8-4-5-14(19)16-2/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyMXTLNBUAQUNDRW-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.26
Rot. Bonds8

About 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide

4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide (PubChem CID 63892035) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide
PubChem CID63892035
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide
SMILESCCC(CCN)N1CCN(CCCC(=O)NC)CC1
InChIInChI=1S/C14H30N4O/c1-3-13(6-7-15)18-11-9-17(10-12-18)8-4-5-14(19)16-2/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyMXTLNBUAQUNDRW-UHFFFAOYSA-N
XLogP0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 62626114
4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide
CID 63892034
3-(4-octyl-1,4-diazepan-1-yl)pentan-1-amine
CID 43253288
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225
3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine
CID 115513334
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]butan-1-one
CID 43252123
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
CID 65277904
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488192
4-[4-(cyanomethyl)piperazin-1-yl]-N-methylbutanamide
CID 63891643

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide (CID 63892035) is 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide is CCC(CCN)N1CCN(CCCC(=O)NC)CC1.
What is the InChIKey of 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide?
The InChIKey is MXTLNBUAQUNDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-3-13(6-7-15)18-11-9-17(10-12-18)8-4-5-14(19)16-2/h13H,3-12,15H2,1-2H3,(H,16,19).
What are the key properties of 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide?
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide has a molecular weight of 270.42 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide is sourced from PubChem (CID 63892035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).