[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C10H16N4O — CID 63080160

IUPAC[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCNC1CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H16N4O/c1-11-8-3-2-6-14(7-8)10(15)9-4-5-12-13-9/h4-5,8,11H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyQCMHMMJBXXFSNM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.23
Rot. Bonds2

About [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 63080160) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID63080160
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCNC1CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H16N4O/c1-11-8-3-2-6-14(7-8)10(15)9-4-5-12-13-9/h4-5,8,11H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyQCMHMMJBXXFSNM-UHFFFAOYSA-N
XLogP0.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(3-bromoanilino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 125139715
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
N-cyclohexyl-4-(1H-pyrazole-5-carbonyl)piperazine-1-carboxamide
CID 138993599
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 102962456
[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110113329
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535398
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119544034
[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110248102
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95819254

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 63080160) is [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is CNC1CCCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is QCMHMMJBXXFSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-11-8-3-2-6-14(7-8)10(15)9-4-5-12-13-9/h4-5,8,11H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 63080160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).