2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate

C16H25ClN4O4 — CID 155272571

IUPAC2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1CCN(c2ncc(OCCOC)cc2Cl)CC1
InChIInChI=1S/C16H25ClN4O4/c1-18-16(22)25-8-7-20-3-5-21(6-4-20)15-14(17)11-13(12-19-15)24-10-9-23-2/h11-12H,3-10H2,1-2H3,(H,18,22)
InChIKeyCLGBXTAHRWYCHR-UHFFFAOYSA-N
MW372.85 g/mol
LogP1.24
Rot. Bonds8

About 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate

2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate (PubChem CID 155272571) has the molecular formula C16H25ClN4O4 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate
PubChem CID155272571
Molecular FormulaC16H25ClN4O4
Molecular Weight372.85 g/mol
Exact Mass372.16
IUPAC Name2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1CCN(c2ncc(OCCOC)cc2Cl)CC1
InChIInChI=1S/C16H25ClN4O4/c1-18-16(22)25-8-7-20-3-5-21(6-4-20)15-14(17)11-13(12-19-15)24-10-9-23-2/h11-12H,3-10H2,1-2H3,(H,18,22)
InChIKeyCLGBXTAHRWYCHR-UHFFFAOYSA-N
XLogP1.24
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272505
2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate
CID 174749311
5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 43592266
2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 142706032
5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid
CID 99820439
5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 162444949
1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272560
2-[4-(3-chloro-5-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 136513118
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
CID 103582181
4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
CID 121205984
2-[4-[6-[[5-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl N-methylcarbamate
CID 144687998
5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133499734

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate?
The IUPAC name of 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate (CID 155272571) is 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate is CNC(=O)OCCN1CCN(c2ncc(OCCOC)cc2Cl)CC1.
What is the InChIKey of 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate?
The InChIKey is CLGBXTAHRWYCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O4/c1-18-16(22)25-8-7-20-3-5-21(6-4-20)15-14(17)11-13(12-19-15)24-10-9-23-2/h11-12H,3-10H2,1-2H3,(H,18,22).
What are the key properties of 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate?
2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate has a molecular weight of 372.85 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl N-methylcarbamate is sourced from PubChem (CID 155272571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).