N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide

C14H21ClN4O2 — CID 75381167

IUPACN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCOc2ncccc2Cl)CC1
InChIInChI=1S/C14H21ClN4O2/c1-2-18-7-9-19(10-8-18)14(20)17-6-11-21-13-12(15)4-3-5-16-13/h3-5H,2,6-11H2,1H3,(H,17,20)
InChIKeySMIXCZHQLJEGNN-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.46
Rot. Bonds5

About N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 75381167) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide
PubChem CID75381167
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCOc2ncccc2Cl)CC1
InChIInChI=1S/C14H21ClN4O2/c1-2-18-7-9-19(10-8-18)14(20)17-6-11-21-13-12(15)4-3-5-16-13/h3-5H,2,6-11H2,1H3,(H,17,20)
InChIKeySMIXCZHQLJEGNN-UHFFFAOYSA-N
XLogP1.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 112972518
N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 112973265
2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
3-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-methyl-1-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
CID 97227031
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide
CID 119900722
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 71969302
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109485360
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876782
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
Potassium (+/-)-(3-chloro-2-pyridinyl)(4-methyl-1-piperazinyl)carboxylate
CID 86647522
4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide
CID 60612186

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide (CID 75381167) is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NCCOc2ncccc2Cl)CC1.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is SMIXCZHQLJEGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-2-18-7-9-19(10-8-18)14(20)17-6-11-21-13-12(15)4-3-5-16-13/h3-5H,2,6-11H2,1H3,(H,17,20).
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide?
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 75381167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).