N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

C17H28N4O2 — CID 56781067

IUPACN-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NCC1CCCO1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C17H28N4O2/c1-14(17(22)18-12-16-7-4-11-23-16)21-10-3-2-6-15(21)13-20-9-5-8-19-20/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H,18,22)
InChIKeyUBGBRNVMPPSVEV-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.42
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 56781067) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID56781067
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NCC1CCCO1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C17H28N4O2/c1-14(17(22)18-12-16-7-4-11-23-16)21-10-3-2-6-15(21)13-20-9-5-8-19-20/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H,18,22)
InChIKeyUBGBRNVMPPSVEV-UHFFFAOYSA-N
XLogP1.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 56781067) is N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is CC(C(=O)NCC1CCCO1)N1CCCCC1Cn1cccn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is UBGBRNVMPPSVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14(17(22)18-12-16-7-4-11-23-16)21-10-3-2-6-15(21)13-20-9-5-8-19-20/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H,18,22).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 320.44 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56781067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).