[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C13H22ClN3O — CID 114188867

IUPAC[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(=CCl)CN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H22ClN3O/c1-11(9-14)10-17-6-2-3-12(17)13(18)16-7-4-15-5-8-16/h9,12,15H,2-8,10H2,1H3
InChIKeyKUDJGBYXPLVBSG-UHFFFAOYSA-N
MW271.79 g/mol
LogP1.03
Rot. Bonds3

About [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 114188867) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID114188867
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(=CCl)CN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H22ClN3O/c1-11(9-14)10-17-6-2-3-12(17)13(18)16-7-4-15-5-8-16/h9,12,15H,2-8,10H2,1H3
InChIKeyKUDJGBYXPLVBSG-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176103
N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 61175724
1-(3-chloro-2-methylprop-2-enyl)azepane-2-carboxylic acid
CID 106439274
[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114525980
2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanenitrile
CID 61175138
[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175122
[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63192291
piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone
CID 106727923
5-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pentanenitrile
CID 61177820
[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 62346739
N-carbamoyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 61176660
[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177242

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 114188867) is [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is CC(=CCl)CN1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is KUDJGBYXPLVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-11(9-14)10-17-6-2-3-12(17)13(18)16-7-4-15-5-8-16/h9,12,15H,2-8,10H2,1H3.
What are the key properties of [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 271.79 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 114188867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).