3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one

C17H32N2O2 — CID 63951571

IUPAC3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)NCC1CCCN(C(=O)CCC2CCCCO2)C1
InChIInChI=1S/C17H32N2O2/c1-14(2)18-12-15-6-5-10-19(13-15)17(20)9-8-16-7-3-4-11-21-16/h14-16,18H,3-13H2,1-2H3
InChIKeyPEZXNVRNSWEUBC-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds6

About 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one

3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one (PubChem CID 63951571) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
PubChem CID63951571
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)NCC1CCCN(C(=O)CCC2CCCCO2)C1
InChIInChI=1S/C17H32N2O2/c1-14(2)18-12-15-6-5-10-19(13-15)17(20)9-8-16-7-3-4-11-21-16/h14-16,18H,3-13H2,1-2H3
InChIKeyPEZXNVRNSWEUBC-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one (CID 63951571) is 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one is CC(C)NCC1CCCN(C(=O)CCC2CCCCO2)C1.
What is the InChIKey of 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is PEZXNVRNSWEUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)18-12-15-6-5-10-19(13-15)17(20)9-8-16-7-3-4-11-21-16/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 63951571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).