[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C12H20N4O — CID 141277119

IUPAC[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCN(C)C1CCCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C12H20N4O/c1-14(2)11-5-4-6-16(9-11)12(17)10-7-13-15(3)8-10/h7-8,11H,4-6,9H2,1-3H3
InChIKeyHCRUOHNACPLRKY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds2

About [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 141277119) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID141277119
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCN(C)C1CCCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C12H20N4O/c1-14(2)11-5-4-6-16(9-11)12(17)10-7-13-15(3)8-10/h7-8,11H,4-6,9H2,1-3H3
InChIKeyHCRUOHNACPLRKY-UHFFFAOYSA-N
XLogP0.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63616448
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 128954239
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
N,N,1-trimethyl-4-(1-methylpyrazole-4-carbonyl)piperazine-2-carboxamide
CID 110086004
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81233181
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56866262
(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110257135

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 141277119) is [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CN(C)C1CCCN(C(=O)c2cnn(C)c2)C1.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is HCRUOHNACPLRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-14(2)11-5-4-6-16(9-11)12(17)10-7-13-15(3)8-10/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 141277119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).