4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide

C14H29N3O2 — CID 102966479

IUPAC4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCOC1CCCN(CCC(C)(NC(C)C)C(N)=O)C1
InChIInChI=1S/C14H29N3O2/c1-11(2)16-14(3,13(15)18)7-9-17-8-5-6-12(10-17)19-4/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyMELGHTGTHVFKHU-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.73
Rot. Bonds7

About 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide

4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide (PubChem CID 102966479) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
PubChem CID102966479
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCOC1CCCN(CCC(C)(NC(C)C)C(N)=O)C1
InChIInChI=1S/C14H29N3O2/c1-11(2)16-14(3,13(15)18)7-9-17-8-5-6-12(10-17)19-4/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyMELGHTGTHVFKHU-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103501950
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 102968926
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 65281752
4-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 106588596
2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
CID 103538003
methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 102966487
5-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 102966510
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709380
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724
methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate
CID 62973498

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide (CID 102966479) is 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide is COC1CCCN(CCC(C)(NC(C)C)C(N)=O)C1.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide?
The InChIKey is MELGHTGTHVFKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)16-14(3,13(15)18)7-9-17-8-5-6-12(10-17)19-4/h11-12,16H,5-10H2,1-4H3,(H2,15,18).
What are the key properties of 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide?
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide has a molecular weight of 271.40 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 102966479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).