N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide

C17H26N4O2 — CID 113104003

IUPACN-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C17H26N4O2/c1-13(2)12-20-7-9-21(10-8-20)17(23)19-16-6-4-5-15(11-16)18-14(3)22/h4-6,11,13H,7-10,12H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyLAUJGASUXSOLBI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.45
Rot. Bonds4

About N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide

N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 113104003) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID113104003
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C17H26N4O2/c1-13(2)12-20-7-9-21(10-8-20)17(23)19-16-6-4-5-15(11-16)18-14(3)22/h4-6,11,13H,7-10,12H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyLAUJGASUXSOLBI-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184931
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 55695184
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 56717075
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (CID 113104003) is N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide is CC(=O)Nc1cccc(NC(=O)N2CCN(CC(C)C)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is LAUJGASUXSOLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(2)12-20-7-9-21(10-8-20)17(23)19-16-6-4-5-15(11-16)18-14(3)22/h4-6,11,13H,7-10,12H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.45, 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-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).