4-(2-chloroethyl)piperazine-1-carboxamide

C7H14ClN3O — CID 2757510

IUPAC4-(2-chloroethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CCCl)CC1
InChIInChI=1S/C7H14ClN3O/c8-1-2-10-3-5-11(6-4-10)7(9)12/h1-6H2,(H2,9,12)
InChIKeyGXGVGDLJJXJKFN-UHFFFAOYSA-N
MW191.66 g/mol
LogP-0.08
Rot. Bonds2

About 4-(2-chloroethyl)piperazine-1-carboxamide

4-(2-chloroethyl)piperazine-1-carboxamide (PubChem CID 2757510) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is 4-(2-chloroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chloroethyl)piperazine-1-carboxamide
PubChem CID2757510
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name4-(2-chloroethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(CCCl)CC1
InChIInChI=1S/C7H14ClN3O/c8-1-2-10-3-5-11(6-4-10)7(9)12/h1-6H2,(H2,9,12)
InChIKeyGXGVGDLJJXJKFN-UHFFFAOYSA-N
XLogP-0.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propylpiperazine-1-carboxamide
CID 16792615
4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 138521354
4-(aminomethyl)piperazine-1-carboxamide
CID 22006108
4-nonylpiperazine-1-carboxamide
CID 13213299
1-[4-(2-chloroethyl)piperazin-1-yl]-2-methoxyethanone;hydrochloride
CID 82032370
1-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 63395391
1-[4-(2-chloroethyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 112603944
(4-bromophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 63395617
4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide
CID 167004574
aziridine;aziridine-1-carboxamide
CID 157196797
1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride
CID 3042591
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(2-methylcyclopropyl)methanone
CID 63394830

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chloroethyl)piperazine-1-carboxamide (CID 2757510) is 4-(2-chloroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chloroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chloroethyl)piperazine-1-carboxamide is NC(=O)N1CCN(CCCl)CC1.
What is the InChIKey of 4-(2-chloroethyl)piperazine-1-carboxamide?
The InChIKey is GXGVGDLJJXJKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN3O/c8-1-2-10-3-5-11(6-4-10)7(9)12/h1-6H2,(H2,9,12).
What are the key properties of 4-(2-chloroethyl)piperazine-1-carboxamide?
4-(2-chloroethyl)piperazine-1-carboxamide has a molecular weight of 191.66 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 2757510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).