(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C16H29N3O2 — CID 66248492

IUPAC(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(N3CCCCC3)CC2)COCC1N
InChIInChI=1S/C16H29N3O2/c1-16(12-21-11-14(16)17)15(20)19-9-5-13(6-10-19)18-7-3-2-4-8-18/h13-14H,2-12,17H2,1H3
InChIKeyVHFMLHUJINJAAC-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.83
Rot. Bonds2

About (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 66248492) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID66248492
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(N3CCCCC3)CC2)COCC1N
InChIInChI=1S/C16H29N3O2/c1-16(12-21-11-14(16)17)15(20)19-9-5-13(6-10-19)18-7-3-2-4-8-18/h13-14H,2-12,17H2,1H3
InChIKeyVHFMLHUJINJAAC-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 66248492) is (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is CC1(C(=O)N2CCC(N3CCCCC3)CC2)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is VHFMLHUJINJAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(12-21-11-14(16)17)15(20)19-9-5-13(6-10-19)18-7-3-2-4-8-18/h13-14H,2-12,17H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 66248492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).