4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide

C20H27FN4O — CID 45234160

IUPAC4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide
SMILESCC(C)c1cc(CN2CCCC(CNC(=O)c3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C20H27FN4O/c1-14(2)19-10-18(23-24-19)13-25-9-3-4-15(12-25)11-22-20(26)16-5-7-17(21)8-6-16/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyMLNPBPDVBGZXBO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.31
Rot. Bonds6

About 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide (PubChem CID 45234160) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide
PubChem CID45234160
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide
SMILESCC(C)c1cc(CN2CCCC(CNC(=O)c3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C20H27FN4O/c1-14(2)19-10-18(23-24-19)13-25-9-3-4-15(12-25)11-22-20(26)16-5-7-17(21)8-6-16/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyMLNPBPDVBGZXBO-UHFFFAOYSA-N
XLogP3.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45221235
[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45195099
N-[(1-benzylpiperidin-3-yl)methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562636
(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 45197086
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide
CID 97283723
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42513467
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide (CID 45234160) is 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide is CC(C)c1cc(CN2CCCC(CNC(=O)c3ccc(F)cc3)C2)[nH]n1.
What is the InChIKey of 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is MLNPBPDVBGZXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-14(2)19-10-18(23-24-19)13-25-9-3-4-15(12-25)11-22-20(26)16-5-7-17(21)8-6-16/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 45234160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).