3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one

C14H29N3O2 — CID 106112209

IUPAC3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
SMILESCOC(CN)C(=O)N1CCC(CN(C)C(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-11(2)16(3)10-12-5-7-17(8-6-12)14(18)13(9-15)19-4/h11-13H,5-10,15H2,1-4H3
InChIKeyKYKSPHXMKIOJMB-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.54
Rot. Bonds6

About 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one

3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one (PubChem CID 106112209) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
PubChem CID106112209
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
SMILESCOC(CN)C(=O)N1CCC(CN(C)C(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-11(2)16(3)10-12-5-7-17(8-6-12)14(18)13(9-15)19-4/h11-13H,5-10,15H2,1-4H3
InChIKeyKYKSPHXMKIOJMB-UHFFFAOYSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one (CID 106112209) is 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one is COC(CN)C(=O)N1CCC(CN(C)C(C)C)CC1.
What is the InChIKey of 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is KYKSPHXMKIOJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)16(3)10-12-5-7-17(8-6-12)14(18)13(9-15)19-4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one?
3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 271.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 106112209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).