(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone

C14H17N5O — CID 110096423

IUPAC(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESCn1ccnc1C(=O)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C14H17N5O/c1-18-8-6-17-13(18)14(20)19-7-2-3-11(10-19)12-9-15-4-5-16-12/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyPSPOZZZRLFMXBR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds2

About (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone

(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone (PubChem CID 110096423) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
PubChem CID110096423
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESCn1ccnc1C(=O)N1CCCC(c2cnccn2)C1
InChIInChI=1S/C14H17N5O/c1-18-8-6-17-13(18)14(20)19-7-2-3-11(10-19)12-9-15-4-5-16-12/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyPSPOZZZRLFMXBR-UHFFFAOYSA-N
XLogP1.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124980175
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 175652301
1,3-oxazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110271238
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one
CID 92602615
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
(1-methylimidazol-2-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810581
(1-methylimidazol-2-yl)-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810580
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 51590865

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone (CID 110096423) is (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone is Cn1ccnc1C(=O)N1CCCC(c2cnccn2)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
The InChIKey is PSPOZZZRLFMXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-8-6-17-13(18)14(20)19-7-2-3-11(10-19)12-9-15-4-5-16-12/h4-6,8-9,11H,2-3,7,10H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone?
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110096423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).