4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C14H22N4O2 — CID 113104916

IUPAC4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-20-11-10-17-6-8-18(9-7-17)14(19)16-12-13-4-2-3-5-15-13/h2-5H,6-12H2,1H3,(H,16,19)
InChIKeyWPISSQYMZXXPHX-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.56
Rot. Bonds5

About 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113104916) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113104916
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-20-11-10-17-6-8-18(9-7-17)14(19)16-12-13-4-2-3-5-15-13/h2-5H,6-12H2,1H3,(H,16,19)
InChIKeyWPISSQYMZXXPHX-UHFFFAOYSA-N
XLogP0.56
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-(3-methoxypropyl)-N-(2-pyridin-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 56793069
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499414
4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989085
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 113104916) is 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is COCCN1CCN(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is WPISSQYMZXXPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-11-10-17-6-8-18(9-7-17)14(19)16-12-13-4-2-3-5-15-13/h2-5H,6-12H2,1H3,(H,16,19).
What are the key properties of 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).