1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C17H28N6O — CID 126946062

IUPAC1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(CCN4CCCCC4)C3)c2)C1=O
InChIInChI=1S/C17H28N6O/c1-19-7-10-22(17(19)24)15-11-18-23(14-15)16-12-21(13-16)9-8-20-5-3-2-4-6-20/h11,14,16H,2-10,12-13H2,1H3
InChIKeyQRBYBYSCGDEPGK-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.10
Rot. Bonds5

About 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126946062) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126946062
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(CCN4CCCCC4)C3)c2)C1=O
InChIInChI=1S/C17H28N6O/c1-19-7-10-22(17(19)24)15-11-18-23(14-15)16-12-21(13-16)9-8-20-5-3-2-4-6-20/h11,14,16H,2-10,12-13H2,1H3
InChIKeyQRBYBYSCGDEPGK-UHFFFAOYSA-N
XLogP1.10
TPSA47.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[1-[1-[2-(1-methylpiperidin-2-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946203
1-[1-[1-(cyclopentylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946275
1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946060
6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]piperidin-2-one
CID 126946131
1-methyl-3-[1-[1-[(5-methylpyrazin-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946140
1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946224
4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one
CID 126946213
1-methyl-3-[1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948649
1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946149
4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 126948772
1-methyl-3-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-2-one
CID 126946217
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948734

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126946062) is 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is CN1CCN(c2cnn(C3CN(CCN4CCCCC4)C3)c2)C1=O.
What is the InChIKey of 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is QRBYBYSCGDEPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-19-7-10-22(17(19)24)15-11-18-23(14-15)16-12-21(13-16)9-8-20-5-3-2-4-6-20/h11,14,16H,2-10,12-13H2,1H3.
What are the key properties of 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126946062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).