2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C23H32N4O3 — CID 10693026

IUPAC2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCCOc1ccccc1OCCNC1CCN(c2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C23H32N4O3/c1-4-29-20-9-5-6-10-21(20)30-17-14-24-18-11-15-27(16-12-18)22-19(8-7-13-25-22)23(28)26(2)3/h5-10,13,18,24H,4,11-12,14-17H2,1-3H3
InChIKeyOEGGEEOOQSWUJE-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.82
Rot. Bonds9

About 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 10693026) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID10693026
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCCOc1ccccc1OCCNC1CCN(c2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C23H32N4O3/c1-4-29-20-9-5-6-10-21(20)30-17-14-24-18-11-15-27(16-12-18)22-19(8-7-13-25-22)23(28)26(2)3/h5-10,13,18,24H,4,11-12,14-17H2,1-3H3
InChIKeyOEGGEEOOQSWUJE-UHFFFAOYSA-N
XLogP2.82
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 10693026) is 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CCOc1ccccc1OCCNC1CCN(c2ncccc2C(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is OEGGEEOOQSWUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-4-29-20-9-5-6-10-21(20)30-17-14-24-18-11-15-27(16-12-18)22-19(8-7-13-25-22)23(28)26(2)3/h5-10,13,18,24H,4,11-12,14-17H2,1-3H3.
What are the key properties of 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-ethoxyphenoxy)ethylamino]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 10693026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).