(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate

C29H30N2O3 — CID 91370091

IUPAC(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate
SMILESC=CCC(C(=O)OC1CCN(C(N)=O)CC1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H30N2O3/c1-2-9-25(24-16-14-22(15-17-24)21-10-5-3-6-11-21)28(32)34-27-18-19-31(29(30)33)20-26(27)23-12-7-4-8-13-23/h2-8,10-17,25-27H,1,9,18-20H2,(H2,30,33)
InChIKeyQEZALBNKQSPZQV-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.49
Rot. Bonds7

About (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate

(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate (PubChem CID 91370091) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate.

Molecular Properties

Compound Name(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate
PubChem CID91370091
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate
SMILESC=CCC(C(=O)OC1CCN(C(N)=O)CC1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H30N2O3/c1-2-9-25(24-16-14-22(15-17-24)21-10-5-3-6-11-21)28(32)34-27-18-19-31(29(30)33)20-26(27)23-12-7-4-8-13-23/h2-8,10-17,25-27H,1,9,18-20H2,(H2,30,33)
InChIKeyQEZALBNKQSPZQV-UHFFFAOYSA-N
XLogP5.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 91081985
(1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 90957144
4-(4-phenylphenyl)piperidine-1-carboxamide
CID 173092095
(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 90930404
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 120746295
1-azabicyclo[2.2.2]octan-3-yl 5-iodo-2-phenylpent-4-enoate
CID 54225717
bis(1-methyl-3-phenylpiperidin-4-yl) oxalate
CID 57154321
bis(cyclopropyl-[(3S,4R)-4-(4-fluorophenoxy)-3-phenylpiperidin-1-yl]methanone);hydrate
CID 70531461
2-phenyl-3-[3-phenyl-1-(5-phenylfuran-2-yl)piperidin-4-yl]propanamide
CID 69334504
[(1S,2S)-2-naphthalen-2-ylsulfonylcyclohexyl] (2R)-2-[4-(2-methylpropyl)phenyl]pent-4-enoate
CID 134916765
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909
(2R)-2-(4-fluorophenyl)pent-4-enamide
CID 101191870

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate?
The IUPAC name of (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate (CID 91370091) is (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate.
What is the SMILES notation for (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate?
The canonical SMILES for (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate is C=CCC(C(=O)OC1CCN(C(N)=O)CC1c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate?
The InChIKey is QEZALBNKQSPZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-2-9-25(24-16-14-22(15-17-24)21-10-5-3-6-11-21)28(32)34-27-18-19-31(29(30)33)20-26(27)23-12-7-4-8-13-23/h2-8,10-17,25-27H,1,9,18-20H2,(H2,30,33).
What are the key properties of (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate?
(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate has a molecular weight of 454.57 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate is sourced from PubChem (CID 91370091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).