4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide

C20H27N5O2 — CID 50979754

IUPAC4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCC(=O)NCC1CCCN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1
InChIInChI=1S/C20H27N5O2/c1-15(26)21-10-17-4-3-9-25(13-17)12-16-5-7-18(8-6-16)20(27)23-19-11-22-24(2)14-19/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3,(H,21,26)(H,23,27)
InChIKeyMCMCOYNNFSJLCD-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.02
Rot. Bonds6

About 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide

4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 50979754) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID50979754
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCC(=O)NCC1CCCN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1
InChIInChI=1S/C20H27N5O2/c1-15(26)21-10-17-4-3-9-25(13-17)12-16-5-7-18(8-6-16)20(27)23-19-11-22-24(2)14-19/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3,(H,21,26)(H,23,27)
InChIKeyMCMCOYNNFSJLCD-UHFFFAOYSA-N
XLogP2.02
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
tert-butyl 4-[[(3S)-3-(acetamidomethyl)piperidin-1-yl]methyl]benzoate
CID 99702492
N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
CID 95219246
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide (CID 50979754) is 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide is CC(=O)NCC1CCCN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1.
What is the InChIKey of 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is MCMCOYNNFSJLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15(26)21-10-17-4-3-9-25(13-17)12-16-5-7-18(8-6-16)20(27)23-19-11-22-24(2)14-19/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3,(H,21,26)(H,23,27).
What are the key properties of 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide?
4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 50979754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).