N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide

C21H30N4O2 — CID 95723937

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1ccc(C[C@H]2CCCNC2)cc1
InChIInChI=1S/C21H30N4O2/c1-24-15-19(14-23-24)16-25(10-11-27-2)21(26)20-7-5-17(6-8-20)12-18-4-3-9-22-13-18/h5-8,14-15,18,22H,3-4,9-13,16H2,1-2H3/t18-/m1/s1
InChIKeyJDFNADFYBKLWEJ-GOSISDBHSA-N
MW370.50 g/mol
LogP2.25
Rot. Bonds8

About N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide (PubChem CID 95723937) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
PubChem CID95723937
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1ccc(C[C@H]2CCCNC2)cc1
InChIInChI=1S/C21H30N4O2/c1-24-15-19(14-23-24)16-25(10-11-27-2)21(26)20-7-5-17(6-8-20)12-18-4-3-9-22-13-18/h5-8,14-15,18,22H,3-4,9-13,16H2,1-2H3/t18-/m1/s1
InChIKeyJDFNADFYBKLWEJ-GOSISDBHSA-N
XLogP2.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 56900934
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide (CID 95723937) is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide is COCCN(Cc1cnn(C)c1)C(=O)c1ccc(C[C@H]2CCCNC2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide?
The InChIKey is JDFNADFYBKLWEJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-24-15-19(14-23-24)16-25(10-11-27-2)21(26)20-7-5-17(6-8-20)12-18-4-3-9-22-13-18/h5-8,14-15,18,22H,3-4,9-13,16H2,1-2H3/t18-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide?
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide has a molecular weight of 370.50 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95723937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).