N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide

C16H24ClN3O — CID 17184978

IUPACN-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-2-3-4-8-19-9-11-20(12-10-19)16(21)18-15-7-5-6-14(17)13-15/h5-7,13H,2-4,8-12H2,1H3,(H,18,21)
InChIKeyIGNNVXHHDWBGEC-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.68
Rot. Bonds5

About N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide

N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide (PubChem CID 17184978) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
PubChem CID17184978
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-2-3-4-8-19-9-11-20(12-10-19)16(21)18-15-7-5-6-14(17)13-15/h5-7,13H,2-4,8-12H2,1H3,(H,18,21)
InChIKeyIGNNVXHHDWBGEC-UHFFFAOYSA-N
XLogP3.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide
CID 23794104
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
N-(3-chlorophenyl)-4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]piperazine-1-carboxamide
CID 42710309
N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110409809
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 35962342
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561338
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide (CID 17184978) is N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide is CCCCCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide?
The InChIKey is IGNNVXHHDWBGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-2-3-4-8-19-9-11-20(12-10-19)16(21)18-15-7-5-6-14(17)13-15/h5-7,13H,2-4,8-12H2,1H3,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide?
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 17184978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).