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

C11H18N4O — CID 63616448

IUPAC[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCN(C)C1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H18N4O/c1-14(2)10-4-3-5-15(8-10)11(16)9-6-12-13-7-9/h6-7,10H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyLUOSIYRFGXWEDL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds2

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

[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 63616448) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID63616448
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCN(C)C1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H18N4O/c1-14(2)10-4-3-5-15(8-10)11(16)9-6-12-13-7-9/h6-7,10H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyLUOSIYRFGXWEDL-UHFFFAOYSA-N
XLogP0.58
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[3-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660595
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740
(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-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
[3-(oxan-4-yl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 138056597
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63079570
[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone
CID 126424546
[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641657

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 63616448) is [3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is CN(C)C1CCCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is LUOSIYRFGXWEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14(2)10-4-3-5-15(8-10)11(16)9-6-12-13-7-9/h6-7,10H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 63616448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).