1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one

C16H33N3O — CID 82984066

IUPAC1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C16H33N3O/c1-4-6-15(7-5-2)16(20)19-10-8-18(9-11-19)13-14(3)12-17/h14-15H,4-13,17H2,1-3H3
InChIKeyOPTVFCHRGKPZEK-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.94
Rot. Bonds8

About 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one

1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one (PubChem CID 82984066) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one
PubChem CID82984066
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C16H33N3O/c1-4-6-15(7-5-2)16(20)19-10-8-18(9-11-19)13-14(3)12-17/h14-15H,4-13,17H2,1-3H3
InChIKeyOPTVFCHRGKPZEK-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43251953
2-[4-(2-propylpentanoyl)piperazin-1-yl]ethanethioamide
CID 82984936
2-(aminomethyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 62968051
1-[4-(2-bromoethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 82987942
2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
CID 62773291
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-propylpentan-1-one
CID 82984279
2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43252434
4-(3-amino-2-methylpropyl)-N-ethyl-N-methyl-1,4-diazepane-1-carboxamide
CID 79159522
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43251955
2-(aminomethyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106835724
tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43251933
2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227502

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one?
The IUPAC name of 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one (CID 82984066) is 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one.
What is the SMILES notation for 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one?
The canonical SMILES for 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one is CCCC(CCC)C(=O)N1CCN(CC(C)CN)CC1.
What is the InChIKey of 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one?
The InChIKey is OPTVFCHRGKPZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-6-15(7-5-2)16(20)19-10-8-18(9-11-19)13-14(3)12-17/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one?
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one has a molecular weight of 283.46 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one is sourced from PubChem (CID 82984066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).