N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide

C18H26ClN3O2 — CID 112504693

IUPACN-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
SMILESCN1CCN(C(CNC(=O)C2CCCO2)c2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O2/c1-21-8-10-22(11-9-21)16(14-5-2-3-6-15(14)19)13-20-18(23)17-7-4-12-24-17/h2-3,5-6,16-17H,4,7-13H2,1H3,(H,20,23)
InChIKeyMXWCMLCBYQQCJO-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide

N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide (PubChem CID 112504693) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
PubChem CID112504693
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
SMILESCN1CCN(C(CNC(=O)C2CCCO2)c2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O2/c1-21-8-10-22(11-9-21)16(14-5-2-3-6-15(14)19)13-20-18(23)17-7-4-12-24-17/h2-3,5-6,16-17H,4,7-13H2,1H3,(H,20,23)
InChIKeyMXWCMLCBYQQCJO-UHFFFAOYSA-N
XLogP1.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112504090
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506848
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506807
ethyl 2-[[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504722
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 112504779
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112503792
1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
CID 110303042
ethyl 4-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 24638597
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119849605
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044692

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide (CID 112504693) is N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide is CN1CCN(C(CNC(=O)C2CCCO2)c2ccccc2Cl)CC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is MXWCMLCBYQQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-21-8-10-22(11-9-21)16(14-5-2-3-6-15(14)19)13-20-18(23)17-7-4-12-24-17/h2-3,5-6,16-17H,4,7-13H2,1H3,(H,20,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 112504693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).