(2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide

C11H23N3O2 — CID 97093874

IUPAC(2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(C)C[C@H]1C
InChIInChI=1S/C11H23N3O2/c1-10-9-13(2)6-7-14(10)11(15)12-5-4-8-16-3/h10H,4-9H2,1-3H3,(H,12,15)/t10-/m1/s1
InChIKeyZCBCANHGYHHUDO-SNVBAGLBSA-N
MW229.32 g/mol
LogP0.37
Rot. Bonds4

About (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide

(2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide (PubChem CID 97093874) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide
PubChem CID97093874
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(C)C[C@H]1C
InChIInChI=1S/C11H23N3O2/c1-10-9-13(2)6-7-14(10)11(15)12-5-4-8-16-3/h10H,4-9H2,1-3H3,(H,12,15)/t10-/m1/s1
InChIKeyZCBCANHGYHHUDO-SNVBAGLBSA-N
XLogP0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
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 (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide (CID 97093874) is (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide is COCCCNC(=O)N1CCN(C)C[C@H]1C.
What is the InChIKey of (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide?
The InChIKey is ZCBCANHGYHHUDO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10-9-13(2)6-7-14(10)11(15)12-5-4-8-16-3/h10H,4-9H2,1-3H3,(H,12,15)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide?
(2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 97093874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).