N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide

C24H30N2O — CID 3078861

IUPACN-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)C1CC(C)N(CCc2ccccc2)CC1C
InChIInChI=1S/C24H30N2O/c1-4-24(27)26(22-13-9-6-10-14-22)23-17-20(3)25(18-19(23)2)16-15-21-11-7-5-8-12-21/h4-14,19-20,23H,1,15-18H2,2-3H3
InChIKeyJKBPMKVTBICXSN-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.55
Rot. Bonds6

About N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide

N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide (PubChem CID 3078861) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide
PubChem CID3078861
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)C1CC(C)N(CCc2ccccc2)CC1C
InChIInChI=1S/C24H30N2O/c1-4-24(27)26(22-13-9-6-10-14-22)23-17-20(3)25(18-19(23)2)16-15-21-11-7-5-8-12-21/h4-14,19-20,23H,1,15-18H2,2-3H3
InChIKeyJKBPMKVTBICXSN-UHFFFAOYSA-N
XLogP4.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide?
The IUPAC name of N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide (CID 3078861) is N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide.
What is the SMILES notation for N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide?
The canonical SMILES for N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide is C=CC(=O)N(c1ccccc1)C1CC(C)N(CCc2ccccc2)CC1C.
What is the InChIKey of N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide?
The InChIKey is JKBPMKVTBICXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-4-24(27)26(22-13-9-6-10-14-22)23-17-20(3)25(18-19(23)2)16-15-21-11-7-5-8-12-21/h4-14,19-20,23H,1,15-18H2,2-3H3.
What are the key properties of N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide?
N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide has a molecular weight of 362.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 3078861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).