N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide

C20H26FN5O2 — CID 97283723

IUPACN-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESCc1c(NC(=O)CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cnn1C
InChIInChI=1S/C20H26FN5O2/c1-14-18(11-23-25(14)2)24-19(27)13-26-9-3-4-15(12-26)10-22-20(28)16-5-7-17(21)8-6-16/h5-8,11,15H,3-4,9-10,12-13H2,1-2H3,(H,22,28)(H,24,27)/t15-/m1/s1
InChIKeyRIWPGMCAGVSBQY-OAHLLOKOSA-N
MW387.46 g/mol
LogP1.95
Rot. Bonds6

About N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide

N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide (PubChem CID 97283723) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide
PubChem CID97283723
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC NameN-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESCc1c(NC(=O)CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cnn1C
InChIInChI=1S/C20H26FN5O2/c1-14-18(11-23-25(14)2)24-19(27)13-26-9-3-4-15(12-26)10-22-20(28)16-5-7-17(21)8-6-16/h5-8,11,15H,3-4,9-10,12-13H2,1-2H3,(H,22,28)(H,24,27)/t15-/m1/s1
InChIKeyRIWPGMCAGVSBQY-OAHLLOKOSA-N
XLogP1.95
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide with MolForge

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Related Compounds

2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 93242219
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991889
4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 45234160
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
methyl 3-[[2-[3-[(butanoylamino)methyl]piperidin-1-yl]acetyl]amino]-4-methylbenzoate
CID 51133517
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544
4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42286302

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide (CID 97283723) is N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide is Cc1c(NC(=O)CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cnn1C.
What is the InChIKey of N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide?
The InChIKey is RIWPGMCAGVSBQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-14-18(11-23-25(14)2)24-19(27)13-26-9-3-4-15(12-26)10-22-20(28)16-5-7-17(21)8-6-16/h5-8,11,15H,3-4,9-10,12-13H2,1-2H3,(H,22,28)(H,24,27)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide?
N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide has a molecular weight of 387.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 97283723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).