N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide

C14H20ClN3O2 — CID 103292396

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide
SMILESCOc1cccc(Cl)c1CNC(=O)CN1CCNCC1
InChIInChI=1S/C14H20ClN3O2/c1-20-13-4-2-3-12(15)11(13)9-17-14(19)10-18-7-5-16-6-8-18/h2-4,16H,5-10H2,1H3,(H,17,19)
InChIKeyQCMIBWUYVMMJKA-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.87
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide

N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide (PubChem CID 103292396) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide
PubChem CID103292396
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide
SMILESCOc1cccc(Cl)c1CNC(=O)CN1CCNCC1
InChIInChI=1S/C14H20ClN3O2/c1-20-13-4-2-3-12(15)11(13)9-17-14(19)10-18-7-5-16-6-8-18/h2-4,16H,5-10H2,1H3,(H,17,19)
InChIKeyQCMIBWUYVMMJKA-UHFFFAOYSA-N
XLogP0.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 103292336
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 103293154
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103293265
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperazin-1-ylacetamide
CID 62995583
5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 103291819

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide (CID 103292396) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide is COc1cccc(Cl)c1CNC(=O)CN1CCNCC1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide?
The InChIKey is QCMIBWUYVMMJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-20-13-4-2-3-12(15)11(13)9-17-14(19)10-18-7-5-16-6-8-18/h2-4,16H,5-10H2,1H3,(H,17,19).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide has a molecular weight of 297.79 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 103292396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).