cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone

C16H26N2O3 — CID 80702617

IUPACcyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
SMILESCC1(O)CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)CC1
InChIInChI=1S/C16H26N2O3/c1-16(21)6-9-17(10-7-16)15(20)13-3-2-8-18(11-13)14(19)12-4-5-12/h12-13,21H,2-11H2,1H3
InChIKeyRICJAACVPLNBSK-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.01
Rot. Bonds2

About cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone

cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone (PubChem CID 80702617) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
PubChem CID80702617
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Namecyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
SMILESCC1(O)CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)CC1
InChIInChI=1S/C16H26N2O3/c1-16(21)6-9-17(10-7-16)15(20)13-3-2-8-18(11-13)14(19)12-4-5-12/h12-13,21H,2-11H2,1H3
InChIKeyRICJAACVPLNBSK-UHFFFAOYSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
CID 107406558
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
CID 97080385
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404369
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406843
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 115874663

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone (CID 80702617) is cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone is CC1(O)CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)CC1.
What is the InChIKey of cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone?
The InChIKey is RICJAACVPLNBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(21)6-9-17(10-7-16)15(20)13-3-2-8-18(11-13)14(19)12-4-5-12/h12-13,21H,2-11H2,1H3.
What are the key properties of cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone?
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80702617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).