[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone

C13H22N4O — CID 114022412

IUPAC[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCCNC1CCN(C(=O)c2cn(C)cn2)CC1C
InChIInChI=1S/C13H22N4O/c1-4-14-11-5-6-17(7-10(11)2)13(18)12-8-16(3)9-15-12/h8-11,14H,4-7H2,1-3H3
InChIKeyASEMCPNZIOKMPI-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.88
Rot. Bonds3

About [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone

[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 114022412) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID114022412
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCCNC1CCN(C(=O)c2cn(C)cn2)CC1C
InChIInChI=1S/C13H22N4O/c1-4-14-11-5-6-17(7-10(11)2)13(18)12-8-16(3)9-15-12/h8-11,14H,4-7H2,1-3H3
InChIKeyASEMCPNZIOKMPI-UHFFFAOYSA-N
XLogP0.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970772
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809877
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
[4-(ethylamino)-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114498442
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 114498414
(2,5-dimethylfuran-3-yl)-[4-(ethylamino)-3-methylpiperidin-1-yl]methanone
CID 114498416
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 114498542
[(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
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115707

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 114022412) is [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone is CCNC1CCN(C(=O)c2cn(C)cn2)CC1C.
What is the InChIKey of [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is ASEMCPNZIOKMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-11-5-6-17(7-10(11)2)13(18)12-8-16(3)9-15-12/h8-11,14H,4-7H2,1-3H3.
What are the key properties of [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 114022412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).