2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide

C12H22ClN3O2 — CID 54874647

IUPAC2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C12H22ClN3O2/c1-2-5-14-11(17)10-15-6-8-16(9-7-15)12(18)3-4-13/h2-10H2,1H3,(H,14,17)
InChIKeyRMESBIMSLKODSC-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.29
Rot. Bonds6

About 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide

2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 54874647) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
PubChem CID54874647
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C12H22ClN3O2/c1-2-5-14-11(17)10-15-6-8-16(9-7-15)12(18)3-4-13/h2-10H2,1H3,(H,14,17)
InChIKeyRMESBIMSLKODSC-UHFFFAOYSA-N
XLogP0.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
2-[4-(4-chlorobutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63307721
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54875154
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
CID 62834367
2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
CID 134014539
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide
CID 63336689
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
CID 55874753

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide (CID 54874647) is 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)CCCl)CC1.
What is the InChIKey of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is RMESBIMSLKODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O2/c1-2-5-14-11(17)10-15-6-8-16(9-7-15)12(18)3-4-13/h2-10H2,1H3,(H,14,17).
What are the key properties of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 275.78 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 54874647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).