3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide

C19H29N5O3 — CID 42308281

IUPAC3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C19H29N5O3/c1-14(2)12-17(25)21-16-5-8-20-24(16)15-6-10-22(11-7-15)19(27)13-23-9-3-4-18(23)26/h5,8,14-15H,3-4,6-7,9-13H2,1-2H3,(H,21,25)
InChIKeyOJSWNZJLFQQQLS-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.65
Rot. Bonds6

About 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 42308281) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID42308281
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C19H29N5O3/c1-14(2)12-17(25)21-16-5-8-20-24(16)15-6-10-22(11-7-15)19(27)13-23-9-3-4-18(23)26/h5,8,14-15H,3-4,6-7,9-13H2,1-2H3,(H,21,25)
InChIKeyOJSWNZJLFQQQLS-UHFFFAOYSA-N
XLogP1.65
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide (CID 42308281) is 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCC2=O)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is OJSWNZJLFQQQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-14(2)12-17(25)21-16-5-8-20-24(16)15-6-10-22(11-7-15)19(27)13-23-9-3-4-18(23)26/h5,8,14-15H,3-4,6-7,9-13H2,1-2H3,(H,21,25).
What are the key properties of 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 375.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 42308281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).