N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C21H28N4O2 — CID 24790614

IUPACN-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCC(C)C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H28N4O2/c1-16(2)21(27)24-14-11-18(12-15-24)25-19(10-13-22-25)23-20(26)9-8-17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,14-15H2,1-2H3,(H,23,26)
InChIKeyJGGFXACFSHGXHL-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.27
Rot. Bonds6

About N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24790614) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24790614
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCC(C)C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H28N4O2/c1-16(2)21(27)24-14-11-18(12-15-24)25-19(10-13-22-25)23-20(26)9-8-17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,14-15H2,1-2H3,(H,23,26)
InChIKeyJGGFXACFSHGXHL-UHFFFAOYSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24790614) is N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is CC(C)C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is JGGFXACFSHGXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16(2)21(27)24-14-11-18(12-15-24)25-19(10-13-22-25)23-20(26)9-8-17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24790614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).