1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one

C15H23N5O2 — CID 56817622

IUPAC1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1cnn(CCC(=O)N2CCC(N3CCNC3=O)CC2)c1
InChIInChI=1S/C15H23N5O2/c1-12-10-17-19(11-12)8-4-14(21)18-6-2-13(3-7-18)20-9-5-16-15(20)22/h10-11,13H,2-9H2,1H3,(H,16,22)
InChIKeySBHBJWSQRFHKBL-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.60
Rot. Bonds4

About 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56817622) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56817622
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1cnn(CCC(=O)N2CCC(N3CCNC3=O)CC2)c1
InChIInChI=1S/C15H23N5O2/c1-12-10-17-19(11-12)8-4-14(21)18-6-2-13(3-7-18)20-9-5-16-15(20)22/h10-11,13H,2-9H2,1H3,(H,16,22)
InChIKeySBHBJWSQRFHKBL-UHFFFAOYSA-N
XLogP0.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one (CID 56817622) is 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one is Cc1cnn(CCC(=O)N2CCC(N3CCNC3=O)CC2)c1.
What is the InChIKey of 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is SBHBJWSQRFHKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-12-10-17-19(11-12)8-4-14(21)18-6-2-13(3-7-18)20-9-5-16-15(20)22/h10-11,13H,2-9H2,1H3,(H,16,22).
What are the key properties of 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56817622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).