5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide

C19H35N3O3 — CID 124884412

IUPAC5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCC(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C
InChIInChI=1S/C19H35N3O3/c1-13(2)20-16(23)9-8-10-17(24)22-14(3)11-21(12-15(22)4)18(25)19(5,6)7/h13-15H,8-12H2,1-7H3,(H,20,23)/t14-,15+
InChIKeyHOYGMFNONDXKLO-GASCZTMLSA-N
MW353.51 g/mol
LogP2.18
Rot. Bonds5

About 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide

5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide (PubChem CID 124884412) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
PubChem CID124884412
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCC(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C
InChIInChI=1S/C19H35N3O3/c1-13(2)20-16(23)9-8-10-17(24)22-14(3)11-21(12-15(22)4)18(25)19(5,6)7/h13-15H,8-12H2,1-7H3,(H,20,23)/t14-,15+
InChIKeyHOYGMFNONDXKLO-GASCZTMLSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide?
The IUPAC name of 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide (CID 124884412) is 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide?
The canonical SMILES for 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide is CC(C)NC(=O)CCCC(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C.
What is the InChIKey of 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide?
The InChIKey is HOYGMFNONDXKLO-GASCZTMLSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-13(2)20-16(23)9-8-10-17(24)22-14(3)11-21(12-15(22)4)18(25)19(5,6)7/h13-15H,8-12H2,1-7H3,(H,20,23)/t14-,15+.
What are the key properties of 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide?
5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide has a molecular weight of 353.51 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide is sourced from PubChem (CID 124884412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).