N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

C19H26N4O — CID 95134634

IUPACN-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCCn1nccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C19H26N4O/c1-3-23-18(10-11-20-23)21-19(24)17-8-6-16(7-9-17)14-22-12-4-5-15(2)13-22/h6-11,15H,3-5,12-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyWOAARTMJGWRWPE-HNNXBMFYSA-N
MW326.44 g/mol
LogP3.39
Rot. Bonds5

About N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 95134634) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID95134634
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCCn1nccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C19H26N4O/c1-3-23-18(10-11-20-23)21-19(24)17-8-6-16(7-9-17)14-22-12-4-5-15(2)13-22/h6-11,15H,3-5,12-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyWOAARTMJGWRWPE-HNNXBMFYSA-N
XLogP3.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38101127
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684727
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (CID 95134634) is N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is CCn1nccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is WOAARTMJGWRWPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-23-18(10-11-20-23)21-19(24)17-8-6-16(7-9-17)14-22-12-4-5-15(2)13-22/h6-11,15H,3-5,12-14H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 95134634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).