(3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one

C14H25N3O — CID 156882607

IUPAC(3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one
SMILES[H]/N=C1\C(CC)N(C)C(=O)[C@@H](CC)N1C1CCCC1
InChIInChI=1S/C14H25N3O/c1-4-11-13(15)17(10-8-6-7-9-10)12(5-2)14(18)16(11)3/h10-12,15H,4-9H2,1-3H3/b15-13+/t11?,12-/m1/s1
InChIKeyICJVPAAWLMYFLA-RKQUJQGHSA-N
MW251.37 g/mol
LogP2.24
Rot. Bonds3

About (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one

(3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one (PubChem CID 156882607) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one
PubChem CID156882607
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one
SMILES[H]/N=C1\C(CC)N(C)C(=O)[C@@H](CC)N1C1CCCC1
InChIInChI=1S/C14H25N3O/c1-4-11-13(15)17(10-8-6-7-9-10)12(5-2)14(18)16(11)3/h10-12,15H,4-9H2,1-3H3/b15-13+/t11?,12-/m1/s1
InChIKeyICJVPAAWLMYFLA-RKQUJQGHSA-N
XLogP2.24
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one?
The IUPAC name of (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one (CID 156882607) is (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one is [H]/N=C1\C(CC)N(C)C(=O)[C@@H](CC)N1C1CCCC1.
What is the InChIKey of (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one?
The InChIKey is ICJVPAAWLMYFLA-RKQUJQGHSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-11-13(15)17(10-8-6-7-9-10)12(5-2)14(18)16(11)3/h10-12,15H,4-9H2,1-3H3/b15-13+/t11?,12-/m1/s1.
What are the key properties of (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one?
(3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-cyclopentyl-3,6-diethyl-5-imino-1-methylpiperazin-2-one is sourced from PubChem (CID 156882607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).