2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

C15H26ClN3O — CID 71967809

IUPAC2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESC=C(Cl)CN1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H26ClN3O/c1-13(16)12-18-5-3-14(4-6-18)11-15(20)19-9-7-17(2)8-10-19/h14H,1,3-12H2,2H3
InChIKeySRDTWXNMCXSLPY-UHFFFAOYSA-N
MW299.85 g/mol
LogP1.62
Rot. Bonds4

About 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 71967809) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID71967809
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESC=C(Cl)CN1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H26ClN3O/c1-13(16)12-18-5-3-14(4-6-18)11-15(20)19-9-7-17(2)8-10-19/h14H,1,3-12H2,2H3
InChIKeySRDTWXNMCXSLPY-UHFFFAOYSA-N
XLogP1.62
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 111113460
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-[4-(aminomethyl)cyclohexyl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 63613057
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63849279
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone
CID 131950880
1-(4-methylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 170569122
1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 168882694
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79607933

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 71967809) is 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is C=C(Cl)CN1CCC(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is SRDTWXNMCXSLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-13(16)12-18-5-3-14(4-6-18)11-15(20)19-9-7-17(2)8-10-19/h14H,1,3-12H2,2H3.
What are the key properties of 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 299.85 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71967809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).