[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

C18H24N4O2 — CID 56897577

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCN(C)CC1(O)CCCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C18H24N4O2/c1-20(2)13-18(24)9-5-11-21(14-18)17(23)15-7-3-4-8-16(15)22-12-6-10-19-22/h3-4,6-8,10,12,24H,5,9,11,13-14H2,1-2H3
InChIKeyKWHHRVLBAUCAEK-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.40
Rot. Bonds4

About [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 56897577) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
PubChem CID56897577
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCN(C)CC1(O)CCCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C18H24N4O2/c1-20(2)13-18(24)9-5-11-21(14-18)17(23)15-7-3-4-8-16(15)22-12-6-10-19-22/h3-4,6-8,10,12,24H,5,9,11,13-14H2,1-2H3
InChIKeyKWHHRVLBAUCAEK-UHFFFAOYSA-N
XLogP1.40
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-methylpyrazol-1-yl)benzoyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 145972843
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 155519614
Tert-butyl 4-[cyclopropyl-(4-pyrazol-1-ylbenzoyl)amino]piperidine-1-carboxylate
CID 89995530
(2R)-1,1,1-Trifluoro-2-{1-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314116
1,1,1-Trifluoro-2-{1-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314125
[(2R,5R)-2-methyl-5-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyrazol-1-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121314131
2-{1-[(3R,6R)-1-{[4-Fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-6-methylpiperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314177
US10617680, Example 288
CID 135355068
Tert-butyl 4-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]piperidine-1-carboxylate
CID 16023986
4-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}morpholine
CID 883452
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 122177912
Morpholine, 4-[(1,3-diphenyl-1H-pyrazol-4-yl)carbonyl]-
CID 744570

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (CID 56897577) is [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is CN(C)CC1(O)CCCN(C(=O)c2ccccc2-n2cccn2)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is KWHHRVLBAUCAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20(2)13-18(24)9-5-11-21(14-18)17(23)15-7-3-4-8-16(15)22-12-6-10-19-22/h3-4,6-8,10,12,24H,5,9,11,13-14H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 56897577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).