N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

C20H25N3O2 — CID 113077661

IUPACN-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-16(2)25-19-11-7-6-10-18(19)22-12-14-23(15-13-22)20(24)21-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,21,24)
InChIKeyLIBDDGMYGMBTPC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.83
Rot. Bonds4

About N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113077661) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113077661
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-16(2)25-19-11-7-6-10-18(19)22-12-14-23(15-13-22)20(24)21-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,21,24)
InChIKeyLIBDDGMYGMBTPC-UHFFFAOYSA-N
XLogP3.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204
4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 42473670
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113077661) is N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccccc1N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is LIBDDGMYGMBTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16(2)25-19-11-7-6-10-18(19)22-12-14-23(15-13-22)20(24)21-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113077661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).