2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide

C14H27N3O2 — CID 107394779

IUPAC2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
SMILESCOC1(C)CCCN(CCC(NC2CC2)C(N)=O)C1
InChIInChI=1S/C14H27N3O2/c1-14(19-2)7-3-8-17(10-14)9-6-12(13(15)18)16-11-4-5-11/h11-12,16H,3-10H2,1-2H3,(H2,15,18)
InChIKeyCYQRYTLXUCNIJP-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.48
Rot. Bonds7

About 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide

2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide (PubChem CID 107394779) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
PubChem CID107394779
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
SMILESCOC1(C)CCCN(CCC(NC2CC2)C(N)=O)C1
InChIInChI=1S/C14H27N3O2/c1-14(19-2)7-3-8-17(10-14)9-6-12(13(15)18)16-11-4-5-11/h11-12,16H,3-10H2,1-2H3,(H2,15,18)
InChIKeyCYQRYTLXUCNIJP-UHFFFAOYSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide (CID 107394779) is 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide is COC1(C)CCCN(CCC(NC2CC2)C(N)=O)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide?
The InChIKey is CYQRYTLXUCNIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(19-2)7-3-8-17(10-14)9-6-12(13(15)18)16-11-4-5-11/h11-12,16H,3-10H2,1-2H3,(H2,15,18).
What are the key properties of 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide?
2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide has a molecular weight of 269.39 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 107394779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).