N-[(1-methylpiperidin-4-ylidene)amino]pentanamide

C11H21N3O — CID 3566197

IUPACN-[(1-methylpiperidin-4-ylidene)amino]pentanamide
SMILESCCCCC(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-3-4-5-11(15)13-12-10-6-8-14(2)9-7-10/h3-9H2,1-2H3,(H,13,15)
InChIKeyYCTVGRLFSYNWKX-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.37
Rot. Bonds4

About N-[(1-methylpiperidin-4-ylidene)amino]pentanamide

N-[(1-methylpiperidin-4-ylidene)amino]pentanamide (PubChem CID 3566197) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-ylidene)amino]pentanamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-ylidene)amino]pentanamide
PubChem CID3566197
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[(1-methylpiperidin-4-ylidene)amino]pentanamide
SMILESCCCCC(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-3-4-5-11(15)13-12-10-6-8-14(2)9-7-10/h3-9H2,1-2H3,(H,13,15)
InChIKeyYCTVGRLFSYNWKX-UHFFFAOYSA-N
XLogP1.37
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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]pentanamide?
The IUPAC name of N-[(1-methylpiperidin-4-ylidene)amino]pentanamide (CID 3566197) is N-[(1-methylpiperidin-4-ylidene)amino]pentanamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-ylidene)amino]pentanamide?
The canonical SMILES for N-[(1-methylpiperidin-4-ylidene)amino]pentanamide is CCCCC(=O)NN=C1CCN(C)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-ylidene)amino]pentanamide?
The InChIKey is YCTVGRLFSYNWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-4-5-11(15)13-12-10-6-8-14(2)9-7-10/h3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[(1-methylpiperidin-4-ylidene)amino]pentanamide?
N-[(1-methylpiperidin-4-ylidene)amino]pentanamide has a molecular weight of 211.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-ylidene)amino]pentanamide is sourced from PubChem (CID 3566197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).