1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone

C16H24N4O2 — CID 110246353

IUPAC1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCCC(Cn3ccnc3C)C2)C1
InChIInChI=1S/C16H24N4O2/c1-12-17-5-7-18(12)8-14-4-3-6-19(9-14)16(22)15-10-20(11-15)13(2)21/h5,7,14-15H,3-4,6,8-11H2,1-2H3
InChIKeyQLJQOMZMOXFHOW-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.91
Rot. Bonds3

About 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone

1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone (PubChem CID 110246353) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone
PubChem CID110246353
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCCC(Cn3ccnc3C)C2)C1
InChIInChI=1S/C16H24N4O2/c1-12-17-5-7-18(12)8-14-4-3-6-19(9-14)16(22)15-10-20(11-15)13(2)21/h5,7,14-15H,3-4,6,8-11H2,1-2H3
InChIKeyQLJQOMZMOXFHOW-UHFFFAOYSA-N
XLogP0.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 4876352
1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
6,8-Diethyl-1-methylimidazo[1,2-a]pyrimidin-1-ium-5,7-dione
CID 44459418
1-(methoxyacetyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-3-carboxamide
CID 50966365
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
(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-[2-methyl-3-(1-pyrrolidinyl)propanoyl]piperidine
CID 70752396
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]piperidine
CID 70765708
1-[2-(dimethylamino)ethyl]-4-{[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-pyrrolidinone
CID 70777043
2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972
3-Imidazol-1-yl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 72146980
N,N-dimethyl-2-{2-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-imidazol-1-yl}ethanamine
CID 72853722

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone (CID 110246353) is 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone is CC(=O)N1CC(C(=O)N2CCCC(Cn3ccnc3C)C2)C1.
What is the InChIKey of 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone?
The InChIKey is QLJQOMZMOXFHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-17-5-7-18(12)8-14-4-3-6-19(9-14)16(22)15-10-20(11-15)13(2)21/h5,7,14-15H,3-4,6,8-11H2,1-2H3.
What are the key properties of 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone?
1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 110246353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).