2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C23H27ClN4O4 — CID 46084292

IUPAC2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1N1CCN(C(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H27ClN4O4/c24-17-4-1-5-18(14-17)32-16-21(29)27-9-11-28(12-10-27)22-20(7-2-8-25-22)23(30)26-15-19-6-3-13-31-19/h1-2,4-5,7-8,14,19H,3,6,9-13,15-16H2,(H,26,30)
InChIKeyDERDXOJXDLHZFT-UHFFFAOYSA-N
MW458.95 g/mol
LogP2.37
Rot. Bonds7

About 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 46084292) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID46084292
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC Name2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1N1CCN(C(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H27ClN4O4/c24-17-4-1-5-18(14-17)32-16-21(29)27-9-11-28(12-10-27)22-20(7-2-8-25-22)23(30)26-15-19-6-3-13-31-19/h1-2,4-5,7-8,14,19H,3,6,9-13,15-16H2,(H,26,30)
InChIKeyDERDXOJXDLHZFT-UHFFFAOYSA-N
XLogP2.37
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-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

2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756865
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
N-[(3-methoxyphenyl)methyl]-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92761216
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084284
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92760589
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084256
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 92761567

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 46084292) is 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cccnc1N1CCN(C(=O)COc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DERDXOJXDLHZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c24-17-4-1-5-18(14-17)32-16-21(29)27-9-11-28(12-10-27)22-20(7-2-8-25-22)23(30)26-15-19-6-3-13-31-19/h1-2,4-5,7-8,14,19H,3,6,9-13,15-16H2,(H,26,30).
What are the key properties of 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46084292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).