4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide

C14H27N3O3 — CID 86998998

IUPAC4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)12(18)16-7-9-17(10-8-16)13(19)15-6-5-11-20-4/h5-11H2,1-4H3,(H,15,19)
InChIKeyBFYZHQMKAXZECF-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.92
Rot. Bonds4

About 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide

4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 86998998) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID86998998
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)12(18)16-7-9-17(10-8-16)13(19)15-6-5-11-20-4/h5-11H2,1-4H3,(H,15,19)
InChIKeyBFYZHQMKAXZECF-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.92
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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Related Compounds

4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
2-[1-(3-methoxypropylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608847
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
4-(4-bromo-3-methylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105384
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
N-butylaziridine-1-carboxamide
CID 55206947
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103320

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide (CID 86998998) is 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide is COCCCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is BFYZHQMKAXZECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)12(18)16-7-9-17(10-8-16)13(19)15-6-5-11-20-4/h5-11H2,1-4H3,(H,15,19).
What are the key properties of 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 86998998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).