3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide

C14H27N3O3 — CID 103538200

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C14H27N3O3/c1-16-14(13(15)18)6-4-5-10(7-14)17-8-11(19-2)12(9-17)20-3/h10-12,16H,4-9H2,1-3H3,(H2,15,18)
InChIKeyHFULZDHJSJOYKI-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.28
Rot. Bonds5

About 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide

3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 103538200) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID103538200
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C14H27N3O3/c1-16-14(13(15)18)6-4-5-10(7-14)17-8-11(19-2)12(9-17)20-3/h10-12,16H,4-9H2,1-3H3,(H2,15,18)
InChIKeyHFULZDHJSJOYKI-UHFFFAOYSA-N
XLogP-0.28
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 103538166
3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641394
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641560
3-(3,3-dimethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641849
3-[4-(dimethylamino)piperidin-1-yl]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636383
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 113336096
3-[3-(methoxymethyl)piperidin-1-yl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106588660
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79651474
ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 102966602
ethyl 3-(2,6-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79626926
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 103538142

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide (CID 103538200) is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(N2CC(OC)C(OC)C2)C1.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is HFULZDHJSJOYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-16-14(13(15)18)6-4-5-10(7-14)17-8-11(19-2)12(9-17)20-3/h10-12,16H,4-9H2,1-3H3,(H2,15,18).
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide?
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 103538200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).