N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide

C16H28N2O3 — CID 91916160

IUPACN-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide
SMILESCCC(=O)N1CCC(N(C(=O)CC)C2CCOCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-15(19)17-9-5-13(6-10-17)18(16(20)4-2)14-7-11-21-12-8-14/h13-14H,3-12H2,1-2H3
InChIKeyZTWUQWOBGRJBFI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.80
Rot. Bonds4

About N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide

N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide (PubChem CID 91916160) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide
PubChem CID91916160
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide
SMILESCCC(=O)N1CCC(N(C(=O)CC)C2CCOCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-15(19)17-9-5-13(6-10-17)18(16(20)4-2)14-7-11-21-12-8-14/h13-14H,3-12H2,1-2H3
InChIKeyZTWUQWOBGRJBFI-UHFFFAOYSA-N
XLogP1.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide?
The IUPAC name of N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide (CID 91916160) is N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide is CCC(=O)N1CCC(N(C(=O)CC)C2CCOCC2)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide?
The InChIKey is ZTWUQWOBGRJBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-15(19)17-9-5-13(6-10-17)18(16(20)4-2)14-7-11-21-12-8-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide?
N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide has a molecular weight of 296.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(1-propanoylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91916160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).