(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone

C12H22N2O3 — CID 103532063

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone
SMILESCOC1CN(C(=O)N2CCCCC2)CC1OC
InChIInChI=1S/C12H22N2O3/c1-16-10-8-14(9-11(10)17-2)12(15)13-6-4-3-5-7-13/h10-11H,3-9H2,1-2H3
InChIKeyFIGJPVOCMRPQQH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.94
Rot. Bonds2

About (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone

(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone (PubChem CID 103532063) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone
PubChem CID103532063
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone
SMILESCOC1CN(C(=O)N2CCCCC2)CC1OC
InChIInChI=1S/C12H22N2O3/c1-16-10-8-14(9-11(10)17-2)12(15)13-6-4-3-5-7-13/h10-11H,3-9H2,1-2H3
InChIKeyFIGJPVOCMRPQQH-UHFFFAOYSA-N
XLogP0.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone
CID 106668555
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-pyrrolidin-1-ylmethanone
CID 103931869
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(piperidin-1-yl)methanone
CID 79155027
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61180946
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone (CID 103532063) is (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone is COC1CN(C(=O)N2CCCCC2)CC1OC.
What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is FIGJPVOCMRPQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-10-8-14(9-11(10)17-2)12(15)13-6-4-3-5-7-13/h10-11H,3-9H2,1-2H3.
What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone?
(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 242.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 103532063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).