acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide

C13H27IN2O2 — CID 142545183

IUPACacetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
SMILESC.CC=O.I.O=C([C@H]1CCCNC1)N1CCCC1
InChIInChI=1S/C10H18N2O.C2H4O.CH4.HI/c13-10(12-6-1-2-7-12)9-4-3-5-11-8-9;1-2-3;;/h9,11H,1-8H2;2H,1H3;1H4;1H/t9-;;;/m0.../s1
InChIKeyWDYMPSYMYQBMHF-DXYFNVQQSA-N
MW370.28 g/mol
LogP2.07
Rot. Bonds1

About acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide

acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide (PubChem CID 142545183) has the molecular formula C13H27IN2O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide.

Molecular Properties

Compound Nameacetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
PubChem CID142545183
Molecular FormulaC13H27IN2O2
Molecular Weight370.28 g/mol
Exact Mass370.11
IUPAC Nameacetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
SMILESC.CC=O.I.O=C([C@H]1CCCNC1)N1CCCC1
InChIInChI=1S/C10H18N2O.C2H4O.CH4.HI/c13-10(12-6-1-2-7-12)9-4-3-5-11-8-9;1-2-3;;/h9,11H,1-8H2;2H,1H3;1H4;1H/t9-;;;/m0.../s1
InChIKeyWDYMPSYMYQBMHF-DXYFNVQQSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
2-methyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119297856
2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 119281331
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide?
The IUPAC name of acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide (CID 142545183) is acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide.
What is the SMILES notation for acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide?
The canonical SMILES for acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide is C.CC=O.I.O=C([C@H]1CCCNC1)N1CCCC1.
What is the InChIKey of acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide?
The InChIKey is WDYMPSYMYQBMHF-DXYFNVQQSA-N. The full InChI is InChI=1S/C10H18N2O.C2H4O.CH4.HI/c13-10(12-6-1-2-7-12)9-4-3-5-11-8-9;1-2-3;;/h9,11H,1-8H2;2H,1H3;1H4;1H/t9-;;;/m0.../s1.
What are the key properties of acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide?
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide has a molecular weight of 370.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide is sourced from PubChem (CID 142545183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).