4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide

C17H20N4O2 — CID 17405710

IUPAC4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C17H20N4O2/c1-23-16-7-3-2-6-15(16)20-9-11-21(12-10-20)17(22)19-14-5-4-8-18-13-14/h2-8,13H,9-12H2,1H3,(H,19,22)
InChIKeyVZQITCLYYRKJPP-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.44
Rot. Bonds3

About 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide

4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 17405710) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID17405710
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C17H20N4O2/c1-23-16-7-3-2-6-15(16)20-9-11-21(12-10-20)17(22)19-14-5-4-8-18-13-14/h2-8,13H,9-12H2,1H3,(H,19,22)
InChIKeyVZQITCLYYRKJPP-UHFFFAOYSA-N
XLogP2.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
1-(2-Methoxyphenyl)-3-pyridin-4-ylurea
CID 677339
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
1-(2-Methoxyphenyl)-4-(5-nitropyridin-2-yl)piperazine
CID 2848878
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
XL844
CID 10016910
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isonicotinamide
CID 10640907
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
N-cyano-N'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56971026
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 110284669
N-cyano-N'-[3-[4-(2-(111C)methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 168271101
N-(3-methoxyphenyl)-N'-3-pyridinylurea
CID 1297960

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide (CID 17405710) is 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2cccnc2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is VZQITCLYYRKJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-16-7-3-2-6-15(16)20-9-11-21(12-10-20)17(22)19-14-5-4-8-18-13-14/h2-8,13H,9-12H2,1H3,(H,19,22).
What are the key properties of 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17405710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).