N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C14H22N4O2 — CID 47478485

IUPACN-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC1CCCNC1=O
InChIInChI=1S/C14H22N4O2/c1-9-11(10(2)18(3)17-9)6-7-13(19)16-12-5-4-8-15-14(12)20/h12H,4-8H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyRWRLOGFLVJWDHF-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.36
Rot. Bonds4

About N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 47478485) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID47478485
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC1CCCNC1=O
InChIInChI=1S/C14H22N4O2/c1-9-11(10(2)18(3)17-9)6-7-13(19)16-12-5-4-8-15-14(12)20/h12H,4-8H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyRWRLOGFLVJWDHF-UHFFFAOYSA-N
XLogP0.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 47478485) is N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC1CCCNC1=O.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is RWRLOGFLVJWDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-11(10(2)18(3)17-9)6-7-13(19)16-12-5-4-8-15-14(12)20/h12H,4-8H2,1-3H3,(H,15,20)(H,16,19).
What are the key properties of N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 47478485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).