N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide

C23H35N3O2 — CID 53110395

IUPACN-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide
SMILESCCCCN1CCN(C(=O)C2(c3ccc(NC(C)=O)cc3)CCCCC2)CC1
InChIInChI=1S/C23H35N3O2/c1-3-4-14-25-15-17-26(18-16-25)22(28)23(12-6-5-7-13-23)20-8-10-21(11-9-20)24-19(2)27/h8-11H,3-7,12-18H2,1-2H3,(H,24,27)
InChIKeyZFLFIYQCYPFEPS-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.79
Rot. Bonds6

About N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide

N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide (PubChem CID 53110395) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide
PubChem CID53110395
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide
SMILESCCCCN1CCN(C(=O)C2(c3ccc(NC(C)=O)cc3)CCCCC2)CC1
InChIInChI=1S/C23H35N3O2/c1-3-4-14-25-15-17-26(18-16-25)22(28)23(12-6-5-7-13-23)20-8-10-21(11-9-20)24-19(2)27/h8-11H,3-7,12-18H2,1-2H3,(H,24,27)
InChIKeyZFLFIYQCYPFEPS-UHFFFAOYSA-N
XLogP3.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide (CID 53110395) is N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide is CCCCN1CCN(C(=O)C2(c3ccc(NC(C)=O)cc3)CCCCC2)CC1.
What is the InChIKey of N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide?
The InChIKey is ZFLFIYQCYPFEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-3-4-14-25-15-17-26(18-16-25)22(28)23(12-6-5-7-13-23)20-8-10-21(11-9-20)24-19(2)27/h8-11H,3-7,12-18H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide?
N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide has a molecular weight of 385.55 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide is sourced from PubChem (CID 53110395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).