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

C17H27N3O2 — CID 113103271

IUPAC4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O2/c1-4-9-18-17(21)20-12-10-19(11-13-20)15-5-7-16(8-6-15)22-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeySNOFTRFPMPLUPV-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.72
Rot. Bonds5

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

4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide (PubChem CID 113103271) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
PubChem CID113103271
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O2/c1-4-9-18-17(21)20-12-10-19(11-13-20)15-5-7-16(8-6-15)22-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeySNOFTRFPMPLUPV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
N-[2-(2-fluorophenyl)ethyl]-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109055
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide (CID 113103271) is 4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is SNOFTRFPMPLUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-9-18-17(21)20-12-10-19(11-13-20)15-5-7-16(8-6-15)22-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21).
What are the key properties of 4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide?
4-(4-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-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 113103271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).