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

C14H20ClN3O — CID 17444568

IUPAC4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-6-16-14(19)18-9-7-17(8-10-18)13-5-3-4-12(15)11-13/h3-5,11H,2,6-10H2,1H3,(H,16,19)
InChIKeyIMWMSVKUSJKUJW-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.58
Rot. Bonds3

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

4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide (PubChem CID 17444568) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
PubChem CID17444568
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-6-16-14(19)18-9-7-17(8-10-18)13-5-3-4-12(15)11-13/h3-5,11H,2,6-10H2,1H3,(H,16,19)
InChIKeyIMWMSVKUSJKUJW-UHFFFAOYSA-N
XLogP2.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
4-(3-chlorophenyl)-N'-methyl-N-propylpiperazine-1-carboximidamide;hydroiodide
CID 111186688
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
CID 108875035
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 27535774

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide (CID 17444568) is 4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is IMWMSVKUSJKUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-6-16-14(19)18-9-7-17(8-10-18)13-5-3-4-12(15)11-13/h3-5,11H,2,6-10H2,1H3,(H,16,19).
What are the key properties of 4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide?
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 17444568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).