3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide

C13H25N3O3 — CID 103920702

IUPAC3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
SMILESCC(C)C(NC(=O)CCOC1CCNCC1)C(N)=O
InChIInChI=1S/C13H25N3O3/c1-9(2)12(13(14)18)16-11(17)5-8-19-10-3-6-15-7-4-10/h9-10,12,15H,3-8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyLHSGGNKEEVCKFV-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.23
Rot. Bonds7

About 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide

3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide (PubChem CID 103920702) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
PubChem CID103920702
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
SMILESCC(C)C(NC(=O)CCOC1CCNCC1)C(N)=O
InChIInChI=1S/C13H25N3O3/c1-9(2)12(13(14)18)16-11(17)5-8-19-10-3-6-15-7-4-10/h9-10,12,15H,3-8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyLHSGGNKEEVCKFV-UHFFFAOYSA-N
XLogP-0.23
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 63902962
(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid
CID 78953665
N-(2,3-dimethylbutyl)-3-piperidin-4-yloxypropanamide
CID 64599298
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-4-yloxypropanamide
CID 106349871
N-(2-amino-2-oxoethyl)-3-piperidin-4-yloxypropanamide
CID 63875429
2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
CID 63904487
3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride
CID 119779357
2-methylpropyl 3-piperidin-4-yloxypropanoate
CID 63869912
N-(2-hydroxy-4-methylpentyl)-3-piperidin-4-yloxypropanamide
CID 103920724
2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid
CID 63875636
3-piperidin-4-yloxy-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81409193
3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide
CID 106345005

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide?
The IUPAC name of 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide (CID 103920702) is 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide.
What is the SMILES notation for 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide?
The canonical SMILES for 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide is CC(C)C(NC(=O)CCOC1CCNCC1)C(N)=O.
What is the InChIKey of 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide?
The InChIKey is LHSGGNKEEVCKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)12(13(14)18)16-11(17)5-8-19-10-3-6-15-7-4-10/h9-10,12,15H,3-8H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide?
3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide has a molecular weight of 271.36 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide is sourced from PubChem (CID 103920702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).