N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide

C16H23N3O2 — CID 82250545

IUPACN-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCNCC2C(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)15-10-17-7-8-19(15)16(21)13-5-4-6-14(9-13)18-12(3)20/h4-6,9,11,15,17H,7-8,10H2,1-3H3,(H,18,20)
InChIKeyYRUOGNNASLTMSY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.72
Rot. Bonds3

About N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide

N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 82250545) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID82250545
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCNCC2C(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)15-10-17-7-8-19(15)16(21)13-5-4-6-14(9-13)18-12(3)20/h4-6,9,11,15,17H,7-8,10H2,1-3H3,(H,18,20)
InChIKeyYRUOGNNASLTMSY-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide (CID 82250545) is N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCNCC2C(C)C)c1.
What is the InChIKey of N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is YRUOGNNASLTMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)15-10-17-7-8-19(15)16(21)13-5-4-6-14(9-13)18-12(3)20/h4-6,9,11,15,17H,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide?
N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 82250545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).