1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone

C12H22N2O2 — CID 103532971

IUPAC1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone
SMILESCOC1CCN(C(=O)CC2CCCNC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-11-4-6-14(9-11)12(15)7-10-3-2-5-13-8-10/h10-11,13H,2-9H2,1H3
InChIKeyMJPSIDUVGMUIMH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds3

About 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone

1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone (PubChem CID 103532971) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone
PubChem CID103532971
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone
SMILESCOC1CCN(C(=O)CC2CCCNC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-11-4-6-14(9-11)12(15)7-10-3-2-5-13-8-10/h10-11,13H,2-9H2,1H3
InChIKeyMJPSIDUVGMUIMH-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 103533035
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
1-(4-ethoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62691409
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylethanone
CID 106835886
1-(1-oxo-1,4-thiazinan-4-yl)-2-piperidin-3-ylethanone
CID 62691071
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
2-hydroxy-6-[1-(2-piperidin-3-ylacetyl)azetidin-3-yl]oxybenzoic acid
CID 155601083
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 63167273

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone (CID 103532971) is 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone is COC1CCN(C(=O)CC2CCCNC2)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone?
The InChIKey is MJPSIDUVGMUIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-11-4-6-14(9-11)12(15)7-10-3-2-5-13-8-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone?
1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 103532971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).