4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide

C15H23N3O — CID 110874514

IUPAC4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-3-8-16-15(19)18-11-9-17(10-12-18)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,16,19)
InChIKeyCIMLHWOMRNSOIW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.24
Rot. Bonds3

About 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide

4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110874514) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
PubChem CID110874514
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-3-8-16-15(19)18-11-9-17(10-12-18)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,16,19)
InChIKeyCIMLHWOMRNSOIW-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.24
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

N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
N-(3-methylbutyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113110708
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide
CID 110365950
4-[(4-methylphenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
CID 110811156

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide (CID 110874514) is 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is CIMLHWOMRNSOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-8-16-15(19)18-11-9-17(10-12-18)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,16,19).
What are the key properties of 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide?
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110874514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).