2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide

C16H31N3O2 — CID 107394710

IUPAC2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1CCCC(C)(OC)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H31N3O2/c1-4-9-18-16(14(17)20,13-6-7-13)12-19-10-5-8-15(2,11-19)21-3/h13,18H,4-12H2,1-3H3,(H2,17,20)
InChIKeyVZFXUPPASSBGLX-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.12
Rot. Bonds8

About 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide

2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide (PubChem CID 107394710) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
PubChem CID107394710
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1CCCC(C)(OC)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H31N3O2/c1-4-9-18-16(14(17)20,13-6-7-13)12-19-10-5-8-15(2,11-19)21-3/h13,18H,4-12H2,1-3H3,(H2,17,20)
InChIKeyVZFXUPPASSBGLX-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394663
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanamide
CID 63910704
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394805
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 107395999
2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
CID 107395160
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)propanamide
CID 63925013
2-cyclopropyl-3-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)propanamide
CID 63911117
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide
CID 81465456
2-cyclopropyl-2-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106588673
2-cyclopropyl-2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926841
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 107395195

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide (CID 107394710) is 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide is CCCNC(CN1CCCC(C)(OC)C1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide?
The InChIKey is VZFXUPPASSBGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-9-18-16(14(17)20,13-6-7-13)12-19-10-5-8-15(2,11-19)21-3/h13,18H,4-12H2,1-3H3,(H2,17,20).
What are the key properties of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide?
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide has a molecular weight of 297.44 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide is sourced from PubChem (CID 107394710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).