4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide

C17H27N3O2 — CID 113103270

IUPAC4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccccc2OC(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-4-9-18-17(21)20-12-10-19(11-13-20)15-7-5-6-8-16(15)22-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyULBIFGJEEHZJLM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.72
Rot. Bonds5

About 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide

4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide (PubChem CID 113103270) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
PubChem CID113103270
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccccc2OC(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-4-9-18-17(21)20-12-10-19(11-13-20)15-7-5-6-8-16(15)22-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyULBIFGJEEHZJLM-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104853
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108282
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide (CID 113103270) is 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ccccc2OC(C)C)CC1.
What is the InChIKey of 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is ULBIFGJEEHZJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-9-18-17(21)20-12-10-19(11-13-20)15-7-5-6-8-16(15)22-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21).
What are the key properties of 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide?
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 113103270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).