N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide

C19H33N3O3 — CID 91802751

IUPACN-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCCCC1C1CCOC(CC2CNC2)C1
InChIInChI=1S/C19H33N3O3/c1-14(23)21-7-5-19(24)22-8-3-2-4-18(22)16-6-9-25-17(11-16)10-15-12-20-13-15/h15-18,20H,2-13H2,1H3,(H,21,23)
InChIKeyUEESMZUPLQZIHI-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.30
Rot. Bonds6

About N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide

N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 91802751) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide
PubChem CID91802751
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCCCC1C1CCOC(CC2CNC2)C1
InChIInChI=1S/C19H33N3O3/c1-14(23)21-7-5-19(24)22-8-3-2-4-18(22)16-6-9-25-17(11-16)10-15-12-20-13-15/h15-18,20H,2-13H2,1H3,(H,21,23)
InChIKeyUEESMZUPLQZIHI-UHFFFAOYSA-N
XLogP1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylpiperazin-1-yl)-3-[[2-(2-methylpropyl)oxan-3-yl]amino]propan-1-one
CID 121526604
N-[(2R*,4R*,6S*)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50951237
3-[4-[3-[1-(3-oxopentyl)piperidin-4-yl]propyl]piperidin-1-yl]-N-(4-pentoxybutyl)propanamide
CID 157662755
N-(4-butoxybutyl)-3-[4-[3-[1-(3-oxopentyl)piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 159954989
N-[4-(4-methylpentoxy)butyl]-3-[4-[3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 167209953
N-{(2S*,4R*,6S*)-2-ethyl-6-[1-(2-methoxyethyl)piperidin-4-yl]tetrahydro-2H-pyran-4-yl}acetamide
CID 50966198
N-[(2R*,4R*,6S*)-2-cyclohexyl-6-(1-isopropylpiperidin-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50968622
3-(Oxan-2-yl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63951571
1-[4-[(2-Propan-2-yloxan-4-yl)amino]piperidin-1-yl]ethanone
CID 64100763
2-Methyl-1-[4-[(2-propyloxan-4-yl)amino]piperidin-1-yl]propan-1-one
CID 64101976
1-[4-[(2-Ethyl-2-methyloxan-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 64101977
2-Methyl-1-[4-[(2-propan-2-yloxan-4-yl)amino]piperidin-1-yl]propan-1-one
CID 64102379

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide (CID 91802751) is N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCCCC1C1CCOC(CC2CNC2)C1.
What is the InChIKey of N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is UEESMZUPLQZIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-14(23)21-7-5-19(24)22-8-3-2-4-18(22)16-6-9-25-17(11-16)10-15-12-20-13-15/h15-18,20H,2-13H2,1H3,(H,21,23).
What are the key properties of N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(azetidin-3-ylmethyl)oxan-4-yl]piperidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 91802751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).