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

C17H27N3O — CID 113103254

IUPAC4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-4-9-18-17(21)20-12-10-19(11-13-20)16-7-5-15(6-8-16)14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyZINFNQFBOROZHY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.05
Rot. Bonds4

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

4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide (PubChem CID 113103254) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
PubChem CID113103254
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-4-9-18-17(21)20-12-10-19(11-13-20)16-7-5-15(6-8-16)14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyZINFNQFBOROZHY-UHFFFAOYSA-N
XLogP3.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110405
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
N-(3-methylbutyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110756
4-(4-propan-2-ylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811973

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide (CID 113103254) is 4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is ZINFNQFBOROZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-9-18-17(21)20-12-10-19(11-13-20)16-7-5-15(6-8-16)14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21).
What are the key properties of 4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide?
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 113103254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).