[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone

C14H22N4O2 — CID 71990992

IUPAC[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone
SMILESCn1ccnc1N1CCN(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C14H22N4O2/c1-16-5-4-15-14(16)18-8-6-17(7-9-18)13(19)12-3-2-10-20-11-12/h4-5,12H,2-3,6-11H2,1H3
InChIKeyOFERWNRFSWISJF-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.50
Rot. Bonds2

About [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone

[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone (PubChem CID 71990992) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone
PubChem CID71990992
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone
SMILESCn1ccnc1N1CCN(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C14H22N4O2/c1-16-5-4-15-14(16)18-8-6-17(7-9-18)13(19)12-3-2-10-20-11-12/h4-5,12H,2-3,6-11H2,1H3
InChIKeyOFERWNRFSWISJF-UHFFFAOYSA-N
XLogP0.50
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-{[1-(methoxymethyl)cyclobutyl]carbonyl}piperidine
CID 70744783
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72923453
ethyl (3S)-1-(3-imidazol-1-ylpropanoyl)piperidine-3-carboxylate
CID 51419312
4-(1-ethyl-1H-imidazol-2-yl)-1-(3-methoxypropanoyl)piperidine
CID 72911298
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 164639534
[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone
CID 127276166
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone
CID 129396926
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3S)-oxan-3-yl]methanone
CID 129396927
4-(3-{1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}propanoyl)morpholine
CID 26398231
4-(3-{1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}propanoyl)morpholine
CID 42593095
(4-(1-methyl-1H-imidazol-2-yl)piperazin-1-yl)(tetrahydrofuran-3-yl)methanone
CID 122160437
ethyl (3R)-1-(3-methylimidazol-3-ium-1-carbonyl)piperidine-3-carboxylate
CID 39871350

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone (CID 71990992) is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone is Cn1ccnc1N1CCN(C(=O)C2CCCOC2)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone?
The InChIKey is OFERWNRFSWISJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-5-4-15-14(16)18-8-6-17(7-9-18)13(19)12-3-2-10-20-11-12/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone?
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 71990992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).