(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone

C11H16ClN3O — CID 107975437

IUPAC(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cn(C)cn2)CC1Cl
InChIInChI=1S/C11H16ClN3O/c1-8-3-4-15(5-9(8)12)11(16)10-6-14(2)7-13-10/h6-9H,3-5H2,1-2H3
InChIKeyKEAFUMAYQPWKBX-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.51
Rot. Bonds1

About (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone

(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone (PubChem CID 107975437) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
PubChem CID107975437
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2cn(C)cn2)CC1Cl
InChIInChI=1S/C11H16ClN3O/c1-8-3-4-15(5-9(8)12)11(16)10-6-14(2)7-13-10/h6-9H,3-5H2,1-2H3
InChIKeyKEAFUMAYQPWKBX-UHFFFAOYSA-N
XLogP1.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 114022412
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970772
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
CID 103859885
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylimidazol-4-yl)methanone
CID 98895616
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylimidazol-4-yl)methanone
CID 98895145

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone (CID 107975437) is (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone is CC1CCN(C(=O)c2cn(C)cn2)CC1Cl.
What is the InChIKey of (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is KEAFUMAYQPWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-3-4-15(5-9(8)12)11(16)10-6-14(2)7-13-10/h6-9H,3-5H2,1-2H3.
What are the key properties of (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone?
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 241.72 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 107975437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).