N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide

C20H26N4O3 — CID 657560

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide
SMILESCc1c(NC(=O)CCC(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H26N4O3/c1-15-19(20(27)24(22(15)2)16-9-5-3-6-10-16)21-17(25)11-12-18(26)23-13-7-4-8-14-23/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3,(H,21,25)
InChIKeyMYBBQPOXWLTLFJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.22
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide (PubChem CID 657560) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide
PubChem CID657560
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide
SMILESCc1c(NC(=O)CCC(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H26N4O3/c1-15-19(20(27)24(22(15)2)16-9-5-3-6-10-16)21-17(25)11-12-18(26)23-13-7-4-8-14-23/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3,(H,21,25)
InChIKeyMYBBQPOXWLTLFJ-UHFFFAOYSA-N
XLogP2.22
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide (CID 657560) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide is Cc1c(NC(=O)CCC(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide?
The InChIKey is MYBBQPOXWLTLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-19(20(27)24(22(15)2)16-9-5-3-6-10-16)21-17(25)11-12-18(26)23-13-7-4-8-14-23/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3,(H,21,25).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide has a molecular weight of 370.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 657560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).