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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Related Compounds

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120734964
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide
CID 86965900
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120736985
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide
CID 110741190
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 124834746
N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119470172

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).