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

C18H22N4O2 — CID 108989094

IUPAC4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-17-7-5-16(6-8-17)21-10-12-22(13-11-21)18(23)20-14-15-4-2-3-9-19-15/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyZFNBWIDVCXKTAS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.12
Rot. Bonds4

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

4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 108989094) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID108989094
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-17-7-5-16(6-8-17)21-10-12-22(13-11-21)18(23)20-14-15-4-2-3-9-19-15/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyZFNBWIDVCXKTAS-UHFFFAOYSA-N
XLogP2.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 172594232
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 108989094) is 4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ZFNBWIDVCXKTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-17-7-5-16(6-8-17)21-10-12-22(13-11-21)18(23)20-14-15-4-2-3-9-19-15/h2-9H,10-14H2,1H3,(H,20,23).
What are the key properties of 4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108989094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).