1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one

C14H23N3O2 — CID 72911298

IUPAC1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCCn1ccnc1C1CCN(C(=O)CCOC)CC1
InChIInChI=1S/C14H23N3O2/c1-3-16-10-7-15-14(16)12-4-8-17(9-5-12)13(18)6-11-19-2/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyWMIXPNDYCZEVGC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.65
Rot. Bonds5

About 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one

1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 72911298) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID72911298
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCCn1ccnc1C1CCN(C(=O)CCOC)CC1
InChIInChI=1S/C14H23N3O2/c1-3-16-10-7-15-14(16)12-4-8-17(9-5-12)13(18)6-11-19-2/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyWMIXPNDYCZEVGC-UHFFFAOYSA-N
XLogP1.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-ethyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53623121
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53618996
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53625729
1-(2-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 56724045
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
(3S*,4R*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-4-(hydroxymethyl)-3-piperidinol
CID 56912514
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
1-(3-ethoxypropanoyl)-3-(1H-imidazol-2-yl)piperidine
CID 70728567
(3R*,4S*)-3,4-dimethyl-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]piperidin-4-ol
CID 70729750
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-{[1-(methoxymethyl)cyclobutyl]carbonyl}piperidine
CID 70744783
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-methyl-3-(1-pyrrolidinyl)propanoyl]piperidine
CID 70752396

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one (CID 72911298) is 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one is CCn1ccnc1C1CCN(C(=O)CCOC)CC1.
What is the InChIKey of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is WMIXPNDYCZEVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-16-10-7-15-14(16)12-4-8-17(9-5-12)13(18)6-11-19-2/h7,10,12H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one?
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 72911298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).