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3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one

C17H32N4O2 — CID 167894004

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCN1CCCC1C(=O)N1CCN(C(=O)CC(N)C(C)(C)C)CC1
InChIInChI=1S/C17H32N4O2/c1-17(2,3)14(18)12-15(22)20-8-10-21(11-9-20)16(23)13-6-5-7-19(13)4/h13-14H,5-12,18H2,1-4H3
InChIKeyHZPFRCOUQKOPOK-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one

3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one (PubChem CID 167894004) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one
PubChem CID167894004
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCN1CCCC1C(=O)N1CCN(C(=O)CC(N)C(C)(C)C)CC1
InChIInChI=1S/C17H32N4O2/c1-17(2,3)14(18)12-15(22)20-8-10-21(11-9-20)16(23)13-6-5-7-19(13)4/h13-14H,5-12,18H2,1-4H3
InChIKeyHZPFRCOUQKOPOK-UHFFFAOYSA-N
XLogP0.51
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one (CID 167894004) is 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one is CN1CCCC1C(=O)N1CCN(C(=O)CC(N)C(C)(C)C)CC1.
What is the InChIKey of 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one?
The InChIKey is HZPFRCOUQKOPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-17(2,3)14(18)12-15(22)20-8-10-21(11-9-20)16(23)13-6-5-7-19(13)4/h13-14H,5-12,18H2,1-4H3.
What are the key properties of 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one?
3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one has a molecular weight of 324.47 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 167894004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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