(1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C16H26N4O2 — CID 91916384

IUPAC(1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCN1CCC(OC2CCN(C(=O)c3nccn3C)CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-18-8-3-13(4-9-18)22-14-5-10-20(11-6-14)16(21)15-17-7-12-19(15)2/h7,12-14H,3-6,8-11H2,1-2H3
InChIKeyYDSCTEGEENJKPS-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.14
Rot. Bonds3

About (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

(1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916384) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916384
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCN1CCC(OC2CCN(C(=O)c3nccn3C)CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-18-8-3-13(4-9-18)22-14-5-10-20(11-6-14)16(21)15-17-7-12-19(15)2/h7,12-14H,3-6,8-11H2,1-2H3
InChIKeyYDSCTEGEENJKPS-UHFFFAOYSA-N
XLogP1.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53561047
1-(4-Ethylpiperazin-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53566133
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53571257
1-(4-Ethoxypiperidin-1-yl)-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 71938530
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 75369808
4-(Cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471417
[3-[Ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197184
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-morpholin-4-ylpropan-1-one
CID 86774762
(2S)-N-methyl-2-(2-methylimidazol-1-yl)-N-(4-morpholin-4-ylbutyl)propanamide
CID 100068024
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-2-yl)carbonyl]piperidine
CID 118763011

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916384) is (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is CN1CCC(OC2CCN(C(=O)c3nccn3C)CC2)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is YDSCTEGEENJKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-8-3-13(4-9-18)22-14-5-10-20(11-6-14)16(21)15-17-7-12-19(15)2/h7,12-14H,3-6,8-11H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
(1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).