1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

C16H24N4O4 — CID 56894686

IUPAC1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCOCCOCC(=O)N1CCNCC1C(=O)NCc1ccncc1
InChIInChI=1S/C16H24N4O4/c1-23-8-9-24-12-15(21)20-7-6-18-11-14(20)16(22)19-10-13-2-4-17-5-3-13/h2-5,14,18H,6-12H2,1H3,(H,19,22)
InChIKeyJLQNWIFXSYDONK-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.84
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 56894686) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
PubChem CID56894686
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCOCCOCC(=O)N1CCNCC1C(=O)NCc1ccncc1
InChIInChI=1S/C16H24N4O4/c1-23-8-9-24-12-15(21)20-7-6-18-11-14(20)16(22)19-10-13-2-4-17-5-3-13/h2-5,14,18H,6-12H2,1H3,(H,19,22)
InChIKeyJLQNWIFXSYDONK-UHFFFAOYSA-N
XLogP-0.84
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95724791
(2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95708878
(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95727694
tert-butyl 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 22557197
2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
CID 118137995
2-(2-methoxyethoxy)-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 103866742
2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 119470768
N-ethyl-1-(3-methoxypyridine-4-carbonyl)piperazine-2-carboxamide
CID 105064126
N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide
CID 112603458
(3R,5R)-1-(3-methoxypropanoyl)-5-(pyridin-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 133133155
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
CID 107148474

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (CID 56894686) is 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is COCCOCC(=O)N1CCNCC1C(=O)NCc1ccncc1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is JLQNWIFXSYDONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-23-8-9-24-12-15(21)20-7-6-18-11-14(20)16(22)19-10-13-2-4-17-5-3-13/h2-5,14,18H,6-12H2,1H3,(H,19,22).
What are the key properties of 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of -0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 56894686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).