N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide

C18H30N4O2 — CID 75421218

IUPACN-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NC2CCN(CC3CCCO3)CC2C)c1
InChIInChI=1S/C18H30N4O2/c1-14-10-19-22(11-14)8-6-18(23)20-17-5-7-21(12-15(17)2)13-16-4-3-9-24-16/h10-11,15-17H,3-9,12-13H2,1-2H3,(H,20,23)
InChIKeyFICJHKVITAECIA-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.59
Rot. Bonds6

About N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide

N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 75421218) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID75421218
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NC2CCN(CC3CCCO3)CC2C)c1
InChIInChI=1S/C18H30N4O2/c1-14-10-19-22(11-14)8-6-18(23)20-17-5-7-21(12-15(17)2)13-16-4-3-9-24-16/h10-11,15-17H,3-9,12-13H2,1-2H3,(H,20,23)
InChIKeyFICJHKVITAECIA-UHFFFAOYSA-N
XLogP1.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide (CID 75421218) is N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)NC2CCN(CC3CCCO3)CC2C)c1.
What is the InChIKey of N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is FICJHKVITAECIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-10-19-22(11-14)8-6-18(23)20-17-5-7-21(12-15(17)2)13-16-4-3-9-24-16/h10-11,15-17H,3-9,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 75421218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).