4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide

C13H27N3O2 — CID 102965045

IUPAC4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCC(OC)C1
InChIInChI=1S/C13H27N3O2/c1-3-6-15-13(17)8-11(9-14)16-7-4-5-12(10-16)18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyNNAFAZYJKBDTCX-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds7

About 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide

4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide (PubChem CID 102965045) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
PubChem CID102965045
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCC(OC)C1
InChIInChI=1S/C13H27N3O2/c1-3-6-15-13(17)8-11(9-14)16-7-4-5-12(10-16)18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyNNAFAZYJKBDTCX-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide
CID 66426952
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide
CID 66429305
4-amino-N-propyl-3-(2-propylpiperidin-1-yl)butanamide
CID 83053457
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
CID 66428881
3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine
CID 102965543
4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 66427812
4-amino-3-(3-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
CID 66431044

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide (CID 102965045) is 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide is CCCNC(=O)CC(CN)N1CCCC(OC)C1.
What is the InChIKey of 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide?
The InChIKey is NNAFAZYJKBDTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-6-15-13(17)8-11(9-14)16-7-4-5-12(10-16)18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide?
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide is sourced from PubChem (CID 102965045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).