N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C18H26ClN3O4 — CID 113105519

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(CC3CCCO3)CC2)c(OC)cc1Cl
InChIInChI=1S/C18H26ClN3O4/c1-24-16-11-15(17(25-2)10-14(16)19)20-18(23)22-7-5-21(6-8-22)12-13-4-3-9-26-13/h10-11,13H,3-9,12H2,1-2H3,(H,20,23)
InChIKeyOFZBPSKPEXGBDF-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.69
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113105519) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113105519
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(CC3CCCO3)CC2)c(OC)cc1Cl
InChIInChI=1S/C18H26ClN3O4/c1-24-16-11-15(17(25-2)10-14(16)19)20-18(23)22-7-5-21(6-8-22)12-13-4-3-9-26-13/h10-11,13H,3-9,12H2,1-2H3,(H,20,23)
InChIKeyOFZBPSKPEXGBDF-UHFFFAOYSA-N
XLogP2.69
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
(3-chloro-4,5-dimethoxyphenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 51151969
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
N-[4,5-dimethoxy-2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 42907623
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960159
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 125165064
3-(3-chloro-4,5-dimethoxyphenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 75618251
2-[2-chloro-6-methoxy-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55494400
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 113105519) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(CC3CCCO3)CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is OFZBPSKPEXGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4/c1-24-16-11-15(17(25-2)10-14(16)19)20-18(23)22-7-5-21(6-8-22)12-13-4-3-9-26-13/h10-11,13H,3-9,12H2,1-2H3,(H,20,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).