N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C19H24N4O2 — CID 122131762

IUPACN-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCCOCc1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-2-25-15-16-6-5-7-17(14-16)21-19(24)23-12-10-22(11-13-23)18-8-3-4-9-20-18/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)
InChIKeyQMOIPGAKLVKRLV-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.97
Rot. Bonds5

About N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 122131762) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID122131762
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCCOCc1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-2-25-15-16-6-5-7-17(14-16)21-19(24)23-12-10-22(11-13-23)18-8-3-4-9-20-18/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)
InChIKeyQMOIPGAKLVKRLV-UHFFFAOYSA-N
XLogP2.97
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 71704653
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
N-[3-[[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]phenyl]acetamide
CID 111221389
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
N-(3-ethylphenyl)-2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 111219946
2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111219525
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86862579

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 122131762) is N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is CCOCc1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is QMOIPGAKLVKRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-25-15-16-6-5-7-17(14-16)21-19(24)23-12-10-22(11-13-23)18-8-3-4-9-20-18/h3-9,14H,2,10-13,15H2,1H3,(H,21,24).
What are the key properties of N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122131762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).