N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide

C18H25N3O4 — CID 168990134

IUPACN-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide
SMILESCC(NCNC(=O)CN1CCCCC1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H25N3O4/c1-13(18(23)14-5-6-15-16(9-14)25-12-24-15)19-11-20-17(22)10-21-7-3-2-4-8-21/h5-6,9,13,19H,2-4,7-8,10-12H2,1H3,(H,20,22)
InChIKeyNNAHHSZNWAPZKK-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.14
Rot. Bonds7

About N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide

N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide (PubChem CID 168990134) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide
PubChem CID168990134
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide
SMILESCC(NCNC(=O)CN1CCCCC1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H25N3O4/c1-13(18(23)14-5-6-15-16(9-14)25-12-24-15)19-11-20-17(22)10-21-7-3-2-4-8-21/h5-6,9,13,19H,2-4,7-8,10-12H2,1H3,(H,20,22)
InChIKeyNNAHHSZNWAPZKK-UHFFFAOYSA-N
XLogP1.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-3-morpholin-4-ylpropanamide
CID 168989916
2-amino-N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]butanediamide
CID 168990016
(2S)-1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one;hydrochloride
CID 76967945
N-[[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]methyl]-2-pyrrolidin-1-ylacetamide
CID 166468269
N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-1,4-dihydropyridine-3-carboxamide
CID 168989861
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 110752384
CID 174080879
CID 174080879
1-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)propan-1-one;hydrochloride
CID 132988641
(2S)-1-(1,3-benzodioxol-5-yl)-2-(ethylamino)-3-methylbutan-1-one
CID 95459831
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylbutylamino)propan-1-one
CID 82100615
1-(1,3-benzodioxol-5-yl)-2-(1,1,2-trifluoroethylamino)propan-1-one
CID 167488987
2-(azocan-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide
CID 91829779

Frequently Asked Questions

What is the IUPAC name of N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide (CID 168990134) is N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide is CC(NCNC(=O)CN1CCCCC1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide?
The InChIKey is NNAHHSZNWAPZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13(18(23)14-5-6-15-16(9-14)25-12-24-15)19-11-20-17(22)10-21-7-3-2-4-8-21/h5-6,9,13,19H,2-4,7-8,10-12H2,1H3,(H,20,22).
What are the key properties of N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide?
N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide has a molecular weight of 347.42 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]amino]methyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 168990134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).