N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide

C12H22N4O2 — CID 56695344

IUPACN'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C12H22N4O2/c1-9(2)13-11(17)8-12(18)15-14-10-4-6-16(3)7-5-10/h9H,4-8H2,1-3H3,(H,13,17)(H,15,18)
InChIKeyPTRQHLHKVCPBIH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.10
Rot. Bonds4

About N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide

N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide (PubChem CID 56695344) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide
PubChem CID56695344
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C12H22N4O2/c1-9(2)13-11(17)8-12(18)15-14-10-4-6-16(3)7-5-10/h9H,4-8H2,1-3H3,(H,13,17)(H,15,18)
InChIKeyPTRQHLHKVCPBIH-UHFFFAOYSA-N
XLogP0.10
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide?
The IUPAC name of N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide (CID 56695344) is N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide.
What is the SMILES notation for N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide?
The canonical SMILES for N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide is CC(C)NC(=O)CC(=O)NN=C1CCN(C)CC1.
What is the InChIKey of N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide?
The InChIKey is PTRQHLHKVCPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(2)13-11(17)8-12(18)15-14-10-4-6-16(3)7-5-10/h9H,4-8H2,1-3H3,(H,13,17)(H,15,18).
What are the key properties of N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide?
N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide has a molecular weight of 254.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-ylpropanediamide is sourced from PubChem (CID 56695344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).