N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide

C17H26N4O2 — CID 113104244

IUPACN-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
SMILESCCC(C)N1CCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-4-13(2)20-8-10-21(11-9-20)17(23)19-16-7-5-6-15(12-16)18-14(3)22/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyYWLVHIOTRGDWKI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.59
Rot. Bonds4

About N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide

N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide (PubChem CID 113104244) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
PubChem CID113104244
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
SMILESCCC(C)N1CCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-4-13(2)20-8-10-21(11-9-20)17(23)19-16-7-5-6-15(12-16)18-14(3)22/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyYWLVHIOTRGDWKI-UHFFFAOYSA-N
XLogP2.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113104196
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 63338979
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
4-heptan-2-yl-N-phenylpiperazine-1-carboxamide
CID 110174858
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide (CID 113104244) is N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide is CCC(C)N1CCN(C(=O)Nc2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide?
The InChIKey is YWLVHIOTRGDWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-13(2)20-8-10-21(11-9-20)17(23)19-16-7-5-6-15(12-16)18-14(3)22/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide?
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113104244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).