(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone

C13H20N4O — CID 126900094

IUPAC(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESCN1CCCC(C(=O)N2CC(n3cccn3)C2)C1
InChIInChI=1S/C13H20N4O/c1-15-6-2-4-11(8-15)13(18)16-9-12(10-16)17-7-3-5-14-17/h3,5,7,11-12H,2,4,6,8-10H2,1H3
InChIKeyWMEOLEDAVRWVKE-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.61
Rot. Bonds2

About (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone

(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone (PubChem CID 126900094) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
PubChem CID126900094
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESCN1CCCC(C(=O)N2CC(n3cccn3)C2)C1
InChIInChI=1S/C13H20N4O/c1-15-6-2-4-11(8-15)13(18)16-9-12(10-16)17-7-3-5-14-17/h3,5,7,11-12H,2,4,6,8-10H2,1H3
InChIKeyWMEOLEDAVRWVKE-UHFFFAOYSA-N
XLogP0.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95159169
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272185
(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121184137
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273
(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 71799141
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 126900088

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The IUPAC name of (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone (CID 126900094) is (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone is CN1CCCC(C(=O)N2CC(n3cccn3)C2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The InChIKey is WMEOLEDAVRWVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-15-6-2-4-11(8-15)13(18)16-9-12(10-16)17-7-3-5-14-17/h3,5,7,11-12H,2,4,6,8-10H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone?
(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 126900094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).