N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide

C13H25N3O — CID 3293640

IUPACN-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
SMILESCCCCC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-4-5-6-13(17)15-14-12-7-9-16(10-8-12)11(2)3/h11H,4-10H2,1-3H3,(H,15,17)
InChIKeyMWRFAODQSPVVDO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.15
Rot. Bonds5

About N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide

N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide (PubChem CID 3293640) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
PubChem CID3293640
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
SMILESCCCCC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-4-5-6-13(17)15-14-12-7-9-16(10-8-12)11(2)3/h11H,4-10H2,1-3H3,(H,15,17)
InChIKeyMWRFAODQSPVVDO-UHFFFAOYSA-N
XLogP2.15
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.15
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-propan-2-ylpiperidin-4-ylidene)amino]pentanamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide (CID 3293640) is N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide is CCCCC(=O)NN=C1CCN(C(C)C)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide?
The InChIKey is MWRFAODQSPVVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-5-6-13(17)15-14-12-7-9-16(10-8-12)11(2)3/h11H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide?
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide has a molecular weight of 239.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide is sourced from PubChem (CID 3293640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).