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

C11H18N4O — CID 63250783

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCNCC1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c1-12-6-9-2-4-15(5-3-9)11(16)10-7-13-14-8-10/h7-9,12H,2-6H2,1H3,(H,13,14)
InChIKeyWKOPRXGTYQSIGI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.48
Rot. Bonds3

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

[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 63250783) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID63250783
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCNCC1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c1-12-6-9-2-4-15(5-3-9)11(16)10-7-13-14-8-10/h7-9,12H,2-6H2,1H3,(H,13,14)
InChIKeyWKOPRXGTYQSIGI-UHFFFAOYSA-N
XLogP0.48
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926
1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 54877453
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876820
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114801677
2-methyl-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876957
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119544034
(4-bromo-1H-pyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250702

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 63250783) is [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is CNCC1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is WKOPRXGTYQSIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-12-6-9-2-4-15(5-3-9)11(16)10-7-13-14-8-10/h7-9,12H,2-6H2,1H3,(H,13,14).
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 63250783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).