1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C17H30N2O3 — CID 110886448

IUPAC1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC2CO)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)16(22)18-10-7-13(8-11-18)15(21)19-9-5-4-6-14(19)12-20/h13-14,20H,4-12H2,1-3H3
InChIKeyPMBQTPOFSZWMMB-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.64
Rot. Bonds2

About 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 110886448) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID110886448
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC2CO)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)16(22)18-10-7-13(8-11-18)15(21)19-9-5-4-6-14(19)12-20/h13-14,20H,4-12H2,1-3H3
InChIKeyPMBQTPOFSZWMMB-UHFFFAOYSA-N
XLogP1.64
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131933868
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
(4-tert-butylcyclohexyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261951
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 66261063
[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 104963820
(1,1-dioxothiolan-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636225
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103915216
1-[4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807307
1-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 61409138

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 110886448) is 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC2CO)CC1.
What is the InChIKey of 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is PMBQTPOFSZWMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)16(22)18-10-7-13(8-11-18)15(21)19-9-5-4-6-14(19)12-20/h13-14,20H,4-12H2,1-3H3.
What are the key properties of 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 310.44 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 110886448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).