1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide

C21H26N4O2 — CID 121109138

IUPAC1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C21H26N4O2/c1-27-18-5-3-2-4-17(18)21(8-9-21)20(26)24-14-16-6-12-25(13-7-16)19-15-22-10-11-23-19/h2-5,10-11,15-16H,6-9,12-14H2,1H3,(H,24,26)
InChIKeyZYRQKRVKBBCJIS-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.55
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide

1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 121109138) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID121109138
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C21H26N4O2/c1-27-18-5-3-2-4-17(18)21(8-9-21)20(26)24-14-16-6-12-25(13-7-16)19-15-22-10-11-23-19/h2-5,10-11,15-16H,6-9,12-14H2,1H3,(H,24,26)
InChIKeyZYRQKRVKBBCJIS-UHFFFAOYSA-N
XLogP2.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 90521463
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71786595
N'-(2-methoxy-5-methylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107842
8-methoxy-2-oxo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]chromene-3-carboxamide
CID 121109126
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 121109116
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107848
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
methyl 4-[[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)methylamino]acetyl]amino]benzoate
CID 121107856
N-[2-(2-methoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384548

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide (CID 121109138) is 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCC2CCN(c3cnccn3)CC2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is ZYRQKRVKBBCJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-27-18-5-3-2-4-17(18)21(8-9-21)20(26)24-14-16-6-12-25(13-7-16)19-15-22-10-11-23-19/h2-5,10-11,15-16H,6-9,12-14H2,1H3,(H,24,26).
What are the key properties of 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide?
1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 121109138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).