2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide

C18H31N3O4 — CID 72894432

IUPAC2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide
SMILESCO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)C1CCN(CC(N)=O)CC1)CC2
InChIInChI=1S/C18H31N3O4/c1-17(25-2)11-14(22)18(17)5-9-21(10-6-18)16(24)13-3-7-20(8-4-13)12-15(19)23/h13-14,22H,3-12H2,1-2H3,(H2,19,23)/t14-,17+/m1/s1
InChIKeyQAGHILKJRMJXMD-PBHICJAKSA-N
MW353.46 g/mol
LogP-0.04
Rot. Bonds4

About 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide

2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide (PubChem CID 72894432) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide
PubChem CID72894432
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide
SMILESCO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)C1CCN(CC(N)=O)CC1)CC2
InChIInChI=1S/C18H31N3O4/c1-17(25-2)11-14(22)18(17)5-9-21(10-6-18)16(24)13-3-7-20(8-4-13)12-15(19)23/h13-14,22H,3-12H2,1-2H3,(H2,19,23)/t14-,17+/m1/s1
InChIKeyQAGHILKJRMJXMD-PBHICJAKSA-N
XLogP-0.04
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperidin-1-yl)acetamide
CID 59463755
cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane
CID 164564342
2-(4-hydroxypiperidin-1-yl)acetamide
CID 14799132
(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72934246
2-[3-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 82511336
2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 16909130
(4-amino-4-methylpiperidin-1-yl)-cyclopropylmethanone;hydrochloride
CID 130809222
2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97122736
2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 54873622
2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131943214
butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
CID 134055061
(1-ethylpiperidin-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 167010736

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide (CID 72894432) is 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide is CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)C1CCN(CC(N)=O)CC1)CC2.
What is the InChIKey of 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is QAGHILKJRMJXMD-PBHICJAKSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-17(25-2)11-14(22)18(17)5-9-21(10-6-18)16(24)13-3-7-20(8-4-13)12-15(19)23/h13-14,22H,3-12H2,1-2H3,(H2,19,23)/t14-,17+/m1/s1.
What are the key properties of 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide?
2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 353.46 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonane-7-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 72894432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).