N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide

C16H30N4O2 — CID 86778138

IUPACN,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
SMILESCC1CCCN(/C(=N/CC(=O)N(C)C)NCC2CCCO2)C1
InChIInChI=1S/C16H30N4O2/c1-13-6-4-8-20(12-13)16(18-11-15(21)19(2)3)17-10-14-7-5-9-22-14/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyJIXDAGFPOMMMKK-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.93
Rot. Bonds4

About N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide (PubChem CID 86778138) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
PubChem CID86778138
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC NameN,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
SMILESCC1CCCN(/C(=N/CC(=O)N(C)C)NCC2CCCO2)C1
InChIInChI=1S/C16H30N4O2/c1-13-6-4-8-20(12-13)16(18-11-15(21)19(2)3)17-10-14-7-5-9-22-14/h13-14H,4-12H2,1-3H3,(H,17,18)
InChIKeyJIXDAGFPOMMMKK-UHFFFAOYSA-N
XLogP0.93
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide (CID 86778138) is N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide is CC1CCCN(/C(=N/CC(=O)N(C)C)NCC2CCCO2)C1.
What is the InChIKey of N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide?
The InChIKey is JIXDAGFPOMMMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-13-6-4-8-20(12-13)16(18-11-15(21)19(2)3)17-10-14-7-5-9-22-14/h13-14H,4-12H2,1-3H3,(H,17,18).
What are the key properties of N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide has a molecular weight of 310.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 86778138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).