N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide

C16H25N3O — CID 113103875

IUPACN-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-4-9-17-16(20)19-12-10-18(11-13-19)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,20)
InChIKeyXGSGMRJOGAYTPM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.63
Rot. Bonds4

About N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide

N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 113103875) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID113103875
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-4-9-17-16(20)19-12-10-18(11-13-19)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,20)
InChIKeyXGSGMRJOGAYTPM-UHFFFAOYSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
N-(3-methylbutyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113110708
(3R)-N-butyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 40631537
N-butyl-4-[4-[(4-chlorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4310467
N-butylaziridine-1-carboxamide
CID 55206947
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
N-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carboxamide
CID 113103928
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide (CID 113103875) is N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is XGSGMRJOGAYTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-4-9-17-16(20)19-12-10-18(11-13-19)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,20).
What are the key properties of N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide?
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113103875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).