N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide

C15H21N3O — CID 5173273

IUPACN-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide
SMILESCN1CCC(=NNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c1-18-11-9-14(10-12-18)16-17-15(19)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19)
InChIKeyAFTVJIDGSOYLFR-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.82
Rot. Bonds4

About N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide

N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide (PubChem CID 5173273) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide
PubChem CID5173273
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide
SMILESCN1CCC(=NNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c1-18-11-9-14(10-12-18)16-17-15(19)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19)
InChIKeyAFTVJIDGSOYLFR-UHFFFAOYSA-N
XLogP1.82
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.82
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]-3-phenylpropanamide?
The IUPAC name of N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide (CID 5173273) is N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide?
The canonical SMILES for N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide is CN1CCC(=NNC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide?
The InChIKey is AFTVJIDGSOYLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-11-9-14(10-12-18)16-17-15(19)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19).
What are the key properties of N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide?
N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 1.82, 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]-3-phenylpropanamide is sourced from PubChem (CID 5173273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).