N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide

C19H26N4O2 — CID 91915720

IUPACN-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
SMILESCc1nn(C)cc1CN1CC[C@H](CO)[C@H](NC(=O)c2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-14-17(10-22(2)21-14)11-23-9-8-16(13-24)18(12-23)20-19(25)15-6-4-3-5-7-15/h3-7,10,16,18,24H,8-9,11-13H2,1-2H3,(H,20,25)/t16-,18-/m1/s1
InChIKeyMWSVIMRQHYKNJX-SJLPKXTDSA-N
MW342.44 g/mol
LogP1.34
Rot. Bonds5

About N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide

N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide (PubChem CID 91915720) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
PubChem CID91915720
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
SMILESCc1nn(C)cc1CN1CC[C@H](CO)[C@H](NC(=O)c2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-14-17(10-22(2)21-14)11-23-9-8-16(13-24)18(12-23)20-19(25)15-6-4-3-5-7-15/h3-7,10,16,18,24H,8-9,11-13H2,1-2H3,(H,20,25)/t16-,18-/m1/s1
InChIKeyMWSVIMRQHYKNJX-SJLPKXTDSA-N
XLogP1.34
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915719
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 124740057
N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
CID 171142638
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 124776779
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide
CID 98854261
N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 98887099
N-[(3S,4R)-4-(hydroxymethyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]benzamide
CID 110202549
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-chlorofuran-2-carboxamide
CID 97248022
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-2-carboxamide
CID 124725548
N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 110202536
N-[1-(cyclopentanecarbonyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 171142001
N-[1-[(2,6-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
CID 171142642

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide (CID 91915720) is N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide is Cc1nn(C)cc1CN1CC[C@H](CO)[C@H](NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide?
The InChIKey is MWSVIMRQHYKNJX-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-17(10-22(2)21-14)11-23-9-8-16(13-24)18(12-23)20-19(25)15-6-4-3-5-7-15/h3-7,10,16,18,24H,8-9,11-13H2,1-2H3,(H,20,25)/t16-,18-/m1/s1.
What are the key properties of N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide?
N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 91915720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).