4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

C19H27N3O3 — CID 74249533

IUPAC4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESCn1ccnc1C1CCN(C(=O)C2CC(=O)OC23CCCCC3)CC1
InChIInChI=1S/C19H27N3O3/c1-21-12-9-20-17(21)14-5-10-22(11-6-14)18(24)15-13-16(23)25-19(15)7-3-2-4-8-19/h9,12,14-15H,2-8,10-11,13H2,1H3
InChIKeyDKYZSUGETKSZEO-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.39
Rot. Bonds2

About 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (PubChem CID 74249533) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
PubChem CID74249533
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESCn1ccnc1C1CCN(C(=O)C2CC(=O)OC23CCCCC3)CC1
InChIInChI=1S/C19H27N3O3/c1-21-12-9-20-17(21)14-5-10-22(11-6-14)18(24)15-13-16(23)25-19(15)7-3-2-4-8-19/h9,12,14-15H,2-8,10-11,13H2,1H3
InChIKeyDKYZSUGETKSZEO-UHFFFAOYSA-N
XLogP2.39
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 138380754
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131892835
4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131933192
2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 72927882
4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 131941434
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
(4S)-4-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 95800999
2,3-dimethyl-7-[(4R)-2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 125175392
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
4-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 135100856
5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45231104

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (CID 74249533) is 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is Cn1ccnc1C1CCN(C(=O)C2CC(=O)OC23CCCCC3)CC1.
What is the InChIKey of 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The InChIKey is DKYZSUGETKSZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-21-12-9-20-17(21)14-5-10-22(11-6-14)18(24)15-13-16(23)25-19(15)7-3-2-4-8-19/h9,12,14-15H,2-8,10-11,13H2,1H3.
What are the key properties of 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one has a molecular weight of 345.44 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 74249533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).