4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide

C14H28N4O2 — CID 71860689

IUPAC4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1
InChIInChI=1S/C14H28N4O2/c1-4-5-6-7-16-13(20)17-8-10-18(11-9-17)14(2,3)12(15)19/h4-11H2,1-3H3,(H2,15,19)(H,16,20)
InChIKeyCGZRECNIVNMTHR-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.77
Rot. Bonds6

About 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide

4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide (PubChem CID 71860689) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide
PubChem CID71860689
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1
InChIInChI=1S/C14H28N4O2/c1-4-5-6-7-16-13(20)17-8-10-18(11-9-17)14(2,3)12(15)19/h4-11H2,1-3H3,(H2,15,19)(H,16,20)
InChIKeyCGZRECNIVNMTHR-UHFFFAOYSA-N
XLogP0.77
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide (CID 71860689) is 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide is CCCCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1.
What is the InChIKey of 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide?
The InChIKey is CGZRECNIVNMTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-5-6-7-16-13(20)17-8-10-18(11-9-17)14(2,3)12(15)19/h4-11H2,1-3H3,(H2,15,19)(H,16,20).
What are the key properties of 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide?
4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methyl-1-oxopropan-2-yl)-N-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 71860689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).