2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide

C21H40N2O2 — CID 3075854

IUPAC2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide
SMILESCCCC(CCC)C(=O)NC1CCN(C(=O)C(CCC)CCC)CC1
InChIInChI=1S/C21H40N2O2/c1-5-9-17(10-6-2)20(24)22-19-13-15-23(16-14-19)21(25)18(11-7-3)12-8-4/h17-19H,5-16H2,1-4H3,(H,22,24)
InChIKeyINJNHEWETIXIHC-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.53
Rot. Bonds11

About 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide

2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide (PubChem CID 3075854) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide
PubChem CID3075854
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide
SMILESCCCC(CCC)C(=O)NC1CCN(C(=O)C(CCC)CCC)CC1
InChIInChI=1S/C21H40N2O2/c1-5-9-17(10-6-2)20(24)22-19-13-15-23(16-14-19)21(25)18(11-7-3)12-8-4/h17-19H,5-16H2,1-4H3,(H,22,24)
InChIKeyINJNHEWETIXIHC-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide?
The IUPAC name of 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide (CID 3075854) is 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide?
The canonical SMILES for 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide is CCCC(CCC)C(=O)NC1CCN(C(=O)C(CCC)CCC)CC1.
What is the InChIKey of 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide?
The InChIKey is INJNHEWETIXIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-5-9-17(10-6-2)20(24)22-19-13-15-23(16-14-19)21(25)18(11-7-3)12-8-4/h17-19H,5-16H2,1-4H3,(H,22,24).
What are the key properties of 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide?
2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide has a molecular weight of 352.56 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 3075854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).