N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide

C18H22F2N4O — CID 97237498

IUPACN-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(Cc2cn[nH]c2-c2c(F)cccc2F)C1
InChIInChI=1S/C18H22F2N4O/c1-12(25)21-8-13-4-3-7-24(10-13)11-14-9-22-23-18(14)17-15(19)5-2-6-16(17)20/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,21,25)(H,22,23)/t13-/m0/s1
InChIKeyWUFHOQHSMQXESM-ZDUSSCGKSA-N
MW348.40 g/mol
LogP2.70
Rot. Bonds5

About N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide

N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 97237498) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
PubChem CID97237498
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(Cc2cn[nH]c2-c2c(F)cccc2F)C1
InChIInChI=1S/C18H22F2N4O/c1-12(25)21-8-13-4-3-7-24(10-13)11-14-9-22-23-18(14)17-15(19)5-2-6-16(17)20/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,21,25)(H,22,23)/t13-/m0/s1
InChIKeyWUFHOQHSMQXESM-ZDUSSCGKSA-N
XLogP2.70
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385
N-[[1-[(3-fluoro-2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
CID 56760689
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
[4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 75430647
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 24889469
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45198658
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
CID 99945758
N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide (CID 97237498) is N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(Cc2cn[nH]c2-c2c(F)cccc2F)C1.
What is the InChIKey of N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is WUFHOQHSMQXESM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-12(25)21-8-13-4-3-7-24(10-13)11-14-9-22-23-18(14)17-15(19)5-2-6-16(17)20/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,21,25)(H,22,23)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 97237498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).